#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:55:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179496 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/93/4339308.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339308
loop_
_publ_author_name
'Natrajan, Louise S.'
'Timmins, Phillipa L.'
'Lunn, Matthew'
'Heath, Sarah L.'
_publ_section_title
;
 Luminescent dinuclear lanthanide complexes of 5-Me-HXTA.
;
_journal_issue                   25
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10877
_journal_page_last               10886
_journal_paper_doi               10.1021/ic701366f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C34 H33.75 Dy2 N4 Na4 O31.13'
_chemical_formula_weight         1413.36
_chemical_name_common            'compound 5'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.8640(10)
_cell_angle_beta                 99.3070(10)
_cell_angle_gamma                108.6030(10)
_cell_formula_units_Z            8
_cell_length_a                   16.9031(8)
_cell_length_b                   17.4094(8)
_cell_length_c                   39.6714(18)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.17
_cell_measurement_theta_min      2.63
_cell_volume                     10801.9(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker CCD 1K Diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0777
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            72357
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.45
_diffrn_reflns_theta_min         1.30
_exptl_absorpt_coefficient_mu    2.871
_exptl_absorpt_correction_T_max  0.801
_exptl_absorpt_correction_T_min  0.528
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   'repeated and equivalent reflections'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             5526
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.17
_refine_diff_density_max         6.357
_refine_diff_density_min         -1.777
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2752
_refine_ls_number_reflns         49671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0647
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1144P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1787
_refine_ls_wR_factor_ref         0.1983
_reflns_number_gt                31749
_reflns_number_total             49671
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701366f-file001.cif
_cod_data_source_block           ihs38s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339308
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.24198(2) 0.22756(2) 0.812104(9) 0.01609(8) Uani 1 1 d . . .
Dy2 Dy 0.32159(2) 0.43571(2) 0.867112(9) 0.01813(9) Uani 1 1 d . . .
Dy3 Dy -0.26754(2) -0.33113(2) 0.689811(9) 0.01913(9) Uani 1 1 d . . .
Dy4 Dy -0.35167(2) -0.54052(2) 0.635362(10) 0.02315(9) Uani 1 1 d . . .
Dy5 Dy 0.74827(2) 1.00316(2) 0.876183(10) 0.01924(9) Uani 1 1 d . . .
Dy6 Dy 0.65959(2) 1.03288(2) 0.956431(9) 0.01886(9) Uani 1 1 d . . .
Dy7 Dy -0.66992(2) -1.13161(2) 0.548897(10) 0.02112(9) Uani 1 1 d . . .
Dy8 Dy -0.76638(2) -1.10658(2) 0.627792(10) 0.02199(9) Uani 1 1 d . . .
Na1 Na -0.1538(2) -0.0122(2) 0.77546(8) 0.0270(7) Uani 1 1 d . . .
Na2 Na 0.3412(2) 0.7891(2) 0.90842(9) 0.0286(8) Uani 1 1 d . . .
Na3 Na 0.1287(2) -0.0893(2) 0.72744(9) 0.0288(8) Uani 1 1 d . . .
Na4 Na 1.0272(2) 0.9023(2) 0.82405(9) 0.0305(8) Uani 1 1 d . . .
Na5 Na 0.1417(2) 0.7975(2) 0.86661(10) 0.0341(8) Uani 1 1 d . . .
Na6 Na -0.4678(2) -0.7936(2) 0.57318(9) 0.0313(8) Uani 1 1 d . . .
Na7 Na 0.6844(3) 0.7670(2) 1.05660(10) 0.0388(9) Uani 1 1 d . . .
Na8 Na -0.3496(3) -0.8891(2) 0.60456(11) 0.0416(9) Uani 1 1 d . . .
Na9 Na -0.5000 -0.5000 0.5000 0.0509(16) Uani 1 2 d S . .
Na10 Na 0.4768(3) 1.2269(3) 1.04286(11) 0.0457(10) Uani 1 1 d . . .
Na11 Na 0.4409(3) 0.8664(4) 0.77705(12) 0.0797(18) Uani 1 1 d . . .
Na12 Na 0.4537(4) 0.3889(4) 1.00054(14) 0.0792(17) Uani 1 1 d . . .
Na13 Na -0.4685(4) -0.9790(5) 0.73014(14) 0.096(2) Uani 1 1 d . . .
Na14 Na 0.0656(4) -0.0420(4) 0.77206(17) 0.0873(18) Uani 1 1 d . . .
Na15 Na 0.2615(4) 0.7635(4) 0.84988(16) 0.0841(17) Uani 1 1 d . . .
Na16 Na 0.1701(4) 0.2084(4) 0.92052(16) 0.0842(17) Uani 1 1 d . . .
Na17 Na 0.9987(4) 1.0855(4) 1.06954(16) 0.0261(14) Uani 0.50 1 d P . .
N1 N 0.1355(4) 0.2295(4) 0.75866(18) 0.0220(14) Uani 1 1 d . . .
N2 N 0.2014(4) 0.4349(4) 0.90100(18) 0.0243(15) Uani 1 1 d . . .
N3 N 0.3586(4) 0.1671(4) 0.82511(15) 0.0155(13) Uani 1 1 d . . .
N4 N 0.4182(4) 0.5375(4) 0.83532(18) 0.0234(15) Uani 1 1 d . . .
N1A N -0.3834(4) -0.2687(4) 0.67712(18) 0.0227(15) Uani 1 1 d . . .
N2A N -0.4469(4) -0.6377(4) 0.66866(18) 0.0245(15) Uani 1 1 d . . .
N21A N -0.1609(4) -0.3360(4) 0.74243(17) 0.0197(14) Uani 1 1 d . . .
N22A N -0.2368(4) -0.5425(4) 0.59986(17) 0.0228(15) Uani 1 1 d . . .
N1B N 0.7260(4) 0.8492(4) 0.86359(18) 0.0241(15) Uani 1 1 d . . .
N2B N 0.7702(4) 1.0297(4) 1.00778(17) 0.0218(14) Uani 1 1 d . . .
N21B N 0.8616(4) 1.1408(4) 0.87353(17) 0.0208(14) Uani 1 1 d . . .
N22B N 0.5557(4) 1.1099(4) 0.94317(17) 0.0200(14) Uani 1 1 d . . .
N1C N -0.8807(4) -1.2427(4) 0.63017(18) 0.0278(16) Uani 1 1 d . . .
N2C N -0.5685(4) -1.2088(4) 0.56411(17) 0.0211(14) Uani 1 1 d . . .
N21C N -0.7423(4) -0.9527(4) 0.64059(17) 0.0226(15) Uani 1 1 d . . .
N22C N -0.7748(5) -1.1274(5) 0.49499(18) 0.0295(17) Uani 1 1 d . . .
O1 O 0.2017(3) 0.3313(3) 0.83545(14) 0.0205(12) Uani 1 1 d . . .
O4 O 0.1020(4) 0.1532(3) 0.81542(15) 0.0258(13) Uani 1 1 d . . .
O5 O -0.0385(4) 0.1038(4) 0.79386(17) 0.0408(17) Uani 1 1 d . . .
O2 O 0.3050(3) 0.2674(3) 0.76569(14) 0.0242(12) Uani 1 1 d . . .
O3 O 0.3026(4) 0.2546(4) 0.70922(16) 0.0347(15) Uani 1 1 d . . .
O8 O 0.3260(4) 0.3693(4) 0.91560(15) 0.0272(13) Uani 1 1 d . . .
O9 O 0.3156(4) 0.3663(4) 0.97091(16) 0.0327(15) Uani 1 1 d . . .
O6 O 0.3405(4) 0.5605(3) 0.90102(15) 0.0251(13) Uani 1 1 d . . .
O7 O 0.2775(4) 0.6532(4) 0.90705(18) 0.0332(15) Uani 1 1 d . . .
O10 O 0.3614(3) 0.3436(3) 0.83549(14) 0.0190(11) Uani 1 1 d . . .
O12 O 0.2587(4) 0.1919(3) 0.86797(14) 0.0234(12) Uani 1 1 d . . .
O11 O 0.3035(4) 0.1192(4) 0.90484(16) 0.0366(15) Uani 1 1 d . . .
O13 O 0.2129(3) 0.0975(3) 0.77907(13) 0.0198(11) Uani 1 1 d . . .
O14 O 0.2638(4) 0.0156(4) 0.74983(16) 0.0293(14) Uani 1 1 d . . .
O15 O 0.2491(4) 0.4962(3) 0.82878(14) 0.0243(12) Uani 1 1 d . . .
O16 O 0.2433(4) 0.6094(4) 0.80774(16) 0.0304(14) Uani 1 1 d . . .
O17 O 0.4690(4) 0.4791(4) 0.89364(16) 0.0303(14) Uani 1 1 d . . .
O18 O 0.6065(4) 0.5572(5) 0.89907(19) 0.0444(18) Uani 1 1 d . . .
O1A O -0.3883(3) -0.4463(4) 0.66741(15) 0.0244(13) Uani 1 1 d . . .
O2A O -0.2784(4) -0.2914(5) 0.63460(18) 0.050(2) Uani 1 1 d . . .
O3A O -0.3397(12) -0.2378(15) 0.5943(4) 0.285(15) Uani 1 1 d . . .
O4A O -0.2381(3) -0.2021(3) 0.72368(14) 0.0237(12) Uani 1 1 d . . .
O5A O -0.2879(4) -0.1183(4) 0.75175(17) 0.0357(16) Uani 1 1 d . . .
O6A O -0.4987(4) -0.5816(4) 0.60993(16) 0.0320(14) Uani 1 1 d . . .
O7A O -0.6359(4) -0.6584(4) 0.60544(18) 0.0416(17) Uani 1 1 d . . .
O8A O -0.2767(4) -0.5963(4) 0.67547(15) 0.0292(14) Uani 1 1 d . . .
O9A O -0.2697(4) -0.7039(4) 0.70074(18) 0.0384(16) Uani 1 1 d . . .
O11A O -0.2298(3) -0.4344(4) 0.66569(15) 0.0246(13) Uani 1 1 d . . .
O12A O -0.3303(3) -0.3691(4) 0.73621(15) 0.0264(13) Uani 1 1 d . . .
O13A O -0.3271(4) -0.3589(4) 0.79266(14) 0.0273(13) Uani 1 1 d . . .
O14A O -0.1276(3) -0.2582(4) 0.68622(15) 0.0252(13) Uani 1 1 d . . .
O15A O 0.0121(3) -0.2047(4) 0.70754(15) 0.0298(14) Uani 1 1 d . . .
O16A O -0.3564(4) -0.4702(4) 0.58766(15) 0.0321(14) Uani 1 1 d . . .
O17A O -0.3519(4) -0.4689(5) 0.53238(16) 0.0406(17) Uani 1 1 d . . .
O18A O -0.3699(4) -0.6689(4) 0.60529(15) 0.0295(14) Uani 1 1 d . . .
O19A O -0.3088(4) -0.7618(4) 0.59448(18) 0.0379(16) Uani 1 1 d . . .
O1B O 0.7300(3) 0.9577(3) 0.92872(14) 0.0221(12) Uani 1 1 d . . .
O2B O 0.6048(3) 0.9209(3) 0.85236(14) 0.0246(12) Uani 1 1 d . . .
O3B O 0.5102(4) 0.8050(4) 0.82245(18) 0.0390(16) Uani 1 1 d . . .
O4B O 0.8123(3) 0.9663(3) 0.83156(14) 0.0208(12) Uani 1 1 d . . .
O5B O 0.8875(3) 0.8935(4) 0.81269(15) 0.0275(13) Uani 1 1 d . . .
O6B O 0.7667(4) 1.1597(4) 0.97685(14) 0.0258(13) Uani 1 1 d . . .
O7B O 0.8514(4) 1.2506(4) 1.02171(15) 0.0313(14) Uani 1 1 d . . .
O8B O 0.6202(4) 0.9095(3) 0.97783(15) 0.0255(13) Uani 1 1 d . . .
O9B O 0.6463(4) 0.8207(4) 1.00996(16) 0.0340(15) Uani 1 1 d . . .
O11B O 0.6985(3) 1.0895(3) 0.90751(13) 0.0193(11) Uani 1 1 d . . .
O12B O 0.8838(3) 1.0192(3) 0.90670(15) 0.0243(12) Uani 1 1 d . . .
O13B O 1.0252(4) 1.0682(4) 0.91403(15) 0.0295(14) Uani 1 1 d . . .
O14B O 0.7026(4) 1.0696(3) 0.83239(14) 0.0250(13) Uani 1 1 d . . .
O15B O 0.7177(5) 1.1764(5) 0.8045(2) 0.079(3) Uani 1 1 d . . .
O16B O 0.5264(4) 0.9522(3) 0.92064(15) 0.0267(13) Uani 1 1 d . . .
O17B O 0.3864(4) 0.9273(4) 0.90391(18) 0.0422(17) Uani 1 1 d . . .
O18B O 0.6136(3) 1.0785(3) 1.00470(14) 0.0232(12) Uani 1 1 d . . .
O19B O 0.5924(4) 1.1840(4) 1.03333(14) 0.0306(14) Uani 1 1 d . . .
O1C O -0.7164(4) -1.1919(3) 0.59618(14) 0.0237(12) Uani 1 1 d . . .
O2C O -0.7216(4) -1.1739(4) 0.67217(15) 0.0288(13) Uani 1 1 d . . .
O3C O -0.7381(5) -1.2839(4) 0.69847(19) 0.054(2) Uani 1 1 d . . .
O4C O -0.9010(4) -1.1218(4) 0.59636(17) 0.0366(15) Uani 1 1 d . . .
O5C O -1.0424(5) -1.1650(6) 0.5919(3) 0.089(4) Uani 1 1 d . . .
O6C O -0.6114(3) -1.1728(3) 0.50247(14) 0.0239(12) Uani 1 1 d . . .
O7C O -0.5690(4) -1.2675(4) 0.47628(15) 0.0303(14) Uani 1 1 d . . .
O8C O -0.5416(4) -1.0503(3) 0.58657(15) 0.0274(13) Uani 1 1 d . . .
O9C O -0.4042(4) -1.0262(4) 0.60869(19) 0.0422(17) Uani 1 1 d . . .
O11C O -0.7433(3) -1.0611(3) 0.57532(14) 0.0227(12) Uani 1 1 d . . .
O12C O -0.6244(4) -1.0259(3) 0.65372(16) 0.0289(13) Uani 1 1 d . . .
O13C O -0.5322(4) -0.9155(4) 0.68752(19) 0.0439(18) Uani 1 1 d . . .
O14C O -0.8336(4) -1.0690(4) 0.67146(15) 0.0273(13) Uani 1 1 d . . .
O15C O -0.9129(5) -0.9974(4) 0.6869(2) 0.0478(19) Uani 1 1 d . . .
C34C C -0.7369(6) -1.0597(6) 0.4764(2) 0.035(2) Uani 1 1 d . . .
O17C O -0.6510(5) -0.9201(4) 0.49288(19) 0.050(2) Uani 1 1 d . . .
O18C O -0.7701(4) -1.2592(4) 0.52552(15) 0.0298(14) Uani 1 1 d . . .
O19C O -0.8431(5) -1.3481(5) 0.47865(18) 0.054(2) Uani 1 1 d . . .
C1 C 0.1244(5) 0.3403(5) 0.8267(2) 0.0212(17) Uani 1 1 d . . .
C2 C 0.0853(5) 0.3297(5) 0.7913(2) 0.0214(17) Uani 1 1 d . . .
C3 C 0.0056(5) 0.3395(5) 0.7828(3) 0.030(2) Uani 1 1 d . . .
H3A H -0.0193 0.3329 0.7596 0.035 Uiso 1 1 calc R . .
C4 C -0.0382(5) 0.3587(5) 0.8076(3) 0.034(2) Uani 1 1 d . . .
C5 C 0.0019(5) 0.3679(5) 0.8417(2) 0.0269(19) Uani 1 1 d . . .
H5A H -0.0253 0.3811 0.8588 0.032 Uiso 1 1 calc R . .
C6 C 0.0820(5) 0.3585(5) 0.8520(2) 0.0231(17) Uani 1 1 d . . .
C7 C -0.1220(6) 0.3708(6) 0.7983(3) 0.041(2) Uani 1 1 d . . .
H7A H -0.1405 0.3606 0.7736 0.062 Uiso 1 1 calc R . .
H7B H -0.1163 0.4261 0.8067 0.062 Uiso 1 1 calc R . .
H7C H -0.1632 0.3335 0.8086 0.062 Uiso 1 1 calc R . .
C8 C 0.1287(5) 0.3145(5) 0.7632(2) 0.0238(18) Uani 1 1 d . . .
H8A H 0.1856 0.3546 0.7677 0.029 Uiso 1 1 calc R . .
H8B H 0.0981 0.3227 0.7417 0.029 Uiso 1 1 calc R . .
C10 C 0.0515(5) 0.1658(6) 0.7571(2) 0.031(2) Uani 1 1 d . . .
H10A H 0.0469 0.1180 0.7414 0.037 Uiso 1 1 calc R . .
H10B H 0.0070 0.1865 0.7475 0.037 Uiso 1 1 calc R . .
C12 C 0.0364(5) 0.1403(5) 0.7911(2) 0.028(2) Uani 1 1 d . . .
C9 C 0.1706(5) 0.2172(5) 0.7276(2) 0.0231(17) Uani 1 1 d . . .
H9A H 0.1484 0.2439 0.7097 0.028 Uiso 1 1 calc R . .
H9B H 0.1517 0.1591 0.7190 0.028 Uiso 1 1 calc R . .
C11 C 0.2669(5) 0.2510(5) 0.7347(2) 0.0250(18) Uani 1 1 d . . .
C13 C 0.1208(5) 0.3656(5) 0.8887(2) 0.0276(19) Uani 1 1 d . . .
H13A H 0.1312 0.3152 0.8926 0.033 Uiso 1 1 calc R . .
H13B H 0.0801 0.3714 0.9026 0.033 Uiso 1 1 calc R . .
C14 C 0.2363(6) 0.4332(6) 0.9377(2) 0.030(2) Uani 1 1 d . . .
H14A H 0.1895 0.4097 0.9491 0.036 Uiso 1 1 calc R . .
H14B H 0.2666 0.4889 0.9491 0.036 Uiso 1 1 calc R . .
C16 C 0.2955(5) 0.3848(5) 0.9418(2) 0.0265(18) Uani 1 1 d . . .
C15 C 0.1893(5) 0.5137(5) 0.8981(2) 0.0259(18) Uani 1 1 d . . .
H15A H 0.1596 0.5255 0.9158 0.031 Uiso 1 1 calc R . .
H15B H 0.1544 0.5109 0.8758 0.031 Uiso 1 1 calc R . .
C17 C 0.2748(5) 0.5827(5) 0.9022(2) 0.0230(17) Uani 1 1 d . . .
C18 C 0.4358(4) 0.3570(4) 0.8238(2) 0.0166(15) Uani 1 1 d . . .
C19 C 0.4772(5) 0.3003(5) 0.8262(2) 0.0193(16) Uani 1 1 d . . .
C20 C 0.5562(5) 0.3179(5) 0.8156(2) 0.0256(18) Uani 1 1 d . . .
H20A H 0.5856 0.2811 0.8181 0.031 Uiso 1 1 calc R . .
C21 C 0.5914(5) 0.3889(5) 0.8015(2) 0.0251(18) Uani 1 1 d . . .
C22 C 0.5469(5) 0.4419(5) 0.7980(2) 0.0236(17) Uani 1 1 d . . .
H22A H 0.5690 0.4889 0.7883 0.028 Uiso 1 1 calc R . .
C23 C 0.4689(5) 0.4275(5) 0.8087(2) 0.0204(16) Uani 1 1 d . . .
C24 C 0.6771(5) 0.4067(7) 0.7906(2) 0.038(2) Uani 1 1 d . . .
H24A H 0.6912 0.4576 0.7815 0.057 Uiso 1 1 calc R . .
H24B H 0.6738 0.3634 0.7732 0.057 Uiso 1 1 calc R . .
H24C H 0.7202 0.4103 0.8103 0.057 Uiso 1 1 calc R . .
C25 C 0.4435(5) 0.2264(5) 0.8430(2) 0.0209(16) Uani 1 1 d . . .
H25A H 0.4396 0.2444 0.8663 0.025 Uiso 1 1 calc R . .
H25B H 0.4844 0.1978 0.8447 0.025 Uiso 1 1 calc R . .
C26 C 0.3301(5) 0.1066(5) 0.8481(2) 0.0228(17) Uani 1 1 d . . .
H26A H 0.3776 0.0907 0.8584 0.027 Uiso 1 1 calc R . .
H26B H 0.2862 0.0580 0.8349 0.027 Uiso 1 1 calc R . .
C28 C 0.2956(5) 0.1417(5) 0.8763(2) 0.0218(17) Uani 1 1 d . . .
C27 C 0.3631(5) 0.1235(5) 0.7921(2) 0.0201(16) Uani 1 1 d . . .
H27A H 0.3952 0.0870 0.7967 0.024 Uiso 1 1 calc R . .
H27B H 0.3922 0.1628 0.7784 0.024 Uiso 1 1 calc R . .
C29 C 0.2741(5) 0.0747(5) 0.7722(2) 0.0209(16) Uani 1 1 d . . .
C30 C 0.4188(5) 0.4857(5) 0.8026(2) 0.0228(17) Uani 1 1 d . . .
H30A H 0.4431 0.5219 0.7869 0.027 Uiso 1 1 calc R . .
H30B H 0.3605 0.4540 0.7916 0.027 Uiso 1 1 calc R . .
C31 C 0.3773(5) 0.5976(5) 0.8252(3) 0.032(2) Uani 1 1 d . . .
H31A H 0.3987 0.6452 0.8429 0.038 Uiso 1 1 calc R . .
H31B H 0.3930 0.6153 0.8040 0.038 Uiso 1 1 calc R . .
C33 C 0.2838(5) 0.5645(5) 0.8201(2) 0.0225(17) Uani 1 1 d . . .
C32 C 0.5062(5) 0.5784(5) 0.8552(2) 0.030(2) Uani 1 1 d . . .
H32A H 0.5122 0.6336 0.8648 0.036 Uiso 1 1 calc R . .
H32B H 0.5457 0.5826 0.8397 0.036 Uiso 1 1 calc R . .
C34 C 0.5302(5) 0.5329(6) 0.8848(3) 0.033(2) Uani 1 1 d . . .
C1A C -0.4620(5) -0.4579(5) 0.6793(2) 0.0236(18) Uani 1 1 d . . .
C2A C -0.5032(5) -0.4014(5) 0.6764(2) 0.0222(17) Uani 1 1 d . . .
C3A C -0.5803(5) -0.4154(6) 0.6878(2) 0.0273(19) Uani 1 1 d . . .
H3AA H -0.6084 -0.3776 0.6854 0.033 Uiso 1 1 calc R . .
C4A C -0.6153(5) -0.4841(6) 0.7026(2) 0.029(2) Uani 1 1 d . . .
C5A C -0.5718(5) -0.5394(6) 0.7059(2) 0.030(2) Uani 1 1 d . . .
H5AA H -0.5942 -0.5856 0.7161 0.036 Uiso 1 1 calc R . .
C6A C -0.4964(5) -0.5281(5) 0.6946(2) 0.0208(17) Uani 1 1 d . . .
C7A C -0.7004(6) -0.4995(7) 0.7138(3) 0.040(2) Uani 1 1 d . . .
H7AA H -0.7203 -0.4546 0.7097 0.060 Uiso 1 1 calc R . .
H7AB H -0.6934 -0.5043 0.7379 0.060 Uiso 1 1 calc R . .
H7AC H -0.7412 -0.5493 0.7007 0.060 Uiso 1 1 calc R . .
C8A C -0.4692(5) -0.3279(5) 0.6590(2) 0.0257(18) Uani 1 1 d . . .
H8AA H -0.4989 -0.3196 0.6386 0.031 Uiso 1 1 calc R . .
C9A C -0.3558(5) -0.2105(6) 0.6534(2) 0.031(2) Uani 1 1 d . . .
H9AA H -0.3114 -0.1615 0.6661 0.038 Uiso 1 1 calc R . .
H9AB H -0.4034 -0.1949 0.6431 0.038 Uiso 1 1 calc R . .
C10A C -0.3224(7) -0.2473(9) 0.6252(3) 0.063(4) Uani 1 1 d . . .
C11A C -0.3865(5) -0.2248(5) 0.7093(2) 0.0228(17) Uani 1 1 d . . .
H11A H -0.4175 -0.2635 0.7228 0.027 Uiso 1 1 calc R . .
H11B H -0.4172 -0.1872 0.7044 0.027 Uiso 1 1 calc R . .
C12A C -0.2981(5) -0.1772(5) 0.7302(2) 0.0270(19) Uani 1 1 d . . .
C13A C -0.4471(5) -0.5852(5) 0.7010(2) 0.0252(18) Uani 1 1 d . . .
H13C H -0.4711 -0.6207 0.7170 0.030 Uiso 1 1 calc R . .
H13D H -0.3887 -0.5532 0.7118 0.030 Uiso 1 1 calc R . .
C14A C -0.5349(5) -0.6798(6) 0.6486(2) 0.031(2) Uani 1 1 d . . .
H14C H -0.5748 -0.6841 0.6640 0.038 Uiso 1 1 calc R . .
H14D H -0.5403 -0.7348 0.6391 0.038 Uiso 1 1 calc R . .
C15A C -0.5585(5) -0.6351(6) 0.6192(2) 0.031(2) Uani 1 1 d . . .
C16A C -0.4073(5) -0.6985(6) 0.6799(2) 0.030(2) Uani 1 1 d . . .
H16A H -0.4274 -0.7464 0.6623 0.035 Uiso 1 1 calc R . .
H16B H -0.4248 -0.7157 0.7010 0.035 Uiso 1 1 calc R . .
C17A C -0.3108(5) -0.6636(5) 0.6863(2) 0.0286(19) Uani 1 1 d . . .
C21A C -0.1518(5) -0.4441(5) 0.6736(2) 0.0227(17) Uani 1 1 d . . .
C22A C -0.1133(5) -0.4642(5) 0.6477(2) 0.0251(18) Uani 1 1 d . . .
C23A C -0.0359(5) -0.4756(5) 0.6560(3) 0.031(2) Uani 1 1 d . . .
H23A H -0.0107 -0.4893 0.6383 0.037 Uiso 1 1 calc R . .
C24A C 0.0061(5) -0.4670(5) 0.6906(3) 0.032(2) Uani 1 1 d . . .
C25A C -0.0354(5) -0.4474(5) 0.7156(2) 0.0273(19) Uani 1 1 d . . .
H25C H -0.0092 -0.4411 0.7386 0.033 Uiso 1 1 calc R . .
C26A C -0.1133(5) -0.4365(5) 0.7083(2) 0.0249(18) Uani 1 1 d . . .
C27A C 0.0905(6) -0.4799(6) 0.7004(3) 0.040(2) Uani 1 1 d . . .
H27C H 0.1082 -0.4702 0.7251 0.060 Uiso 1 1 calc R . .
H27D H 0.1324 -0.4426 0.6904 0.060 Uiso 1 1 calc R . .
H27E H 0.0845 -0.5352 0.6919 0.060 Uiso 1 1 calc R . .
C28A C -0.1565(5) -0.4209(5) 0.7373(2) 0.0249(18) Uani 1 1 d . . .
H28A H -0.2140 -0.4601 0.7327 0.030 Uiso 1 1 calc R . .
H28B H -0.1262 -0.4305 0.7585 0.030 Uiso 1 1 calc R . .
C29A C -0.1947(5) -0.3243(6) 0.7742(2) 0.0246(18) Uani 1 1 d . . .
H29A H -0.1734 -0.2665 0.7835 0.030 Uiso 1 1 calc R . .
H29B H -0.1737 -0.3533 0.7914 0.030 Uiso 1 1 calc R . .
C30A C -0.2917(5) -0.3548(5) 0.7675(2) 0.0215(17) Uani 1 1 d . . .
C31A C -0.0774(5) -0.2741(5) 0.7440(2) 0.0261(18) Uani 1 1 d . . .
H31C H -0.0337 -0.2967 0.7526 0.031 Uiso 1 1 calc R . .
H31D H -0.0711 -0.2274 0.7607 0.031 Uiso 1 1 calc R . .
C32A C -0.0616(5) -0.2440(5) 0.7098(2) 0.0225(17) Uani 1 1 d . . .
C33A C -0.1558(5) -0.4708(5) 0.6104(2) 0.030(2) Uani 1 1 d . . .
H33A H -0.1681 -0.4209 0.6071 0.036 Uiso 1 1 calc R . .
H33B H -0.1167 -0.4759 0.5956 0.036 Uiso 1 1 calc R . .
C34A C -0.2751(6) -0.5423(6) 0.5636(2) 0.030(2) Uani 1 1 d . . .
H34A H -0.3094 -0.5979 0.5531 0.036 Uiso 1 1 calc R . .
H34B H -0.2301 -0.5225 0.5508 0.036 Uiso 1 1 calc R . .
C35A C -0.3295(5) -0.4893(6) 0.5614(2) 0.032(2) Uani 1 1 d . . .
C36A C -0.2215(5) -0.6216(5) 0.6029(2) 0.0270(19) Uani 1 1 d . . .
H36A H -0.1843 -0.6174 0.6249 0.032 Uiso 1 1 calc R . .
H36B H -0.1938 -0.6339 0.5846 0.032 Uiso 1 1 calc R . .
C37A C -0.3051(6) -0.6887(6) 0.6005(2) 0.029(2) Uani 1 1 d . . .
C1B C 0.7716(5) 0.9092(5) 0.9430(2) 0.0221(17) Uani 1 1 d . . .
C2B C 0.7613(6) 0.8320(5) 0.9259(2) 0.0261(18) Uani 1 1 d . . .
C3B C 0.8026(6) 0.7836(6) 0.9405(3) 0.035(2) Uani 1 1 d . . .
H3BA H 0.7949 0.7327 0.9285 0.042 Uiso 1 1 calc R . .
C4B C 0.8553(7) 0.8078(6) 0.9727(3) 0.038(2) Uani 1 1 d . . .
C5B C 0.8681(6) 0.8863(6) 0.9895(2) 0.030(2) Uani 1 1 d . . .
H5BA H 0.9054 0.9051 1.0107 0.036 Uiso 1 1 calc R . .
C6B C 0.8272(5) 0.9362(5) 0.9755(2) 0.0246(18) Uani 1 1 d . . .
C7B C 0.8989(8) 0.7537(7) 0.9887(3) 0.058(3) Uani 1 1 d . . .
H7BA H 0.8826 0.7028 0.9736 0.087 Uiso 1 1 calc R . .
H7BB H 0.8828 0.7434 1.0104 0.087 Uiso 1 1 calc R . .
H7BC H 0.9595 0.7802 0.9923 0.087 Uiso 1 1 calc R . .
C8B C 0.7001(6) 0.8004(5) 0.8917(2) 0.030(2) Uani 1 1 d . . .
H8BA H 0.6954 0.7441 0.8847 0.036 Uiso 1 1 calc R . .
H8BB H 0.6443 0.8006 0.8946 0.036 Uiso 1 1 calc R . .
C9B C 0.6563(5) 0.8158(5) 0.8327(2) 0.0255(18) Uani 1 1 d . . .
H9BA H 0.6351 0.7565 0.8303 0.031 Uiso 1 1 calc R . .
H9BB H 0.6780 0.8314 0.8122 0.031 Uiso 1 1 calc R . .
C10B C 0.5845(5) 0.8482(5) 0.8360(2) 0.0269(19) Uani 1 1 d . . .
C11B C 0.8072(5) 0.8423(5) 0.8548(2) 0.0244(18) Uani 1 1 d . . .
H11C H 0.7967 0.7876 0.8432 0.029 Uiso 1 1 calc R . .
H11D H 0.8499 0.8524 0.8758 0.029 Uiso 1 1 calc R . .
C12B C 0.8384(5) 0.9051(5) 0.8314(2) 0.0240(17) Uani 1 1 d . . .
C13B C 0.8460(5) 1.0204(5) 0.9934(2) 0.0262(18) Uani 1 1 d . . .
H13E H 0.8608 1.0591 0.9773 0.031 Uiso 1 1 calc R . .
H13F H 0.8948 1.0333 1.0122 0.031 Uiso 1 1 calc R . .
C14B C 0.8009(5) 1.1103(5) 1.0295(2) 0.0251(18) Uani 1 1 d . . .
H14E H 0.8561 1.1184 1.0437 0.030 Uiso 1 1 calc R . .
H14F H 0.7618 1.1116 1.0448 0.030 Uiso 1 1 calc R . .
C15B C 0.8086(5) 1.1799(6) 1.0078(2) 0.0261(18) Uani 1 1 d . . .
C16B C 0.7349(6) 0.9627(5) 1.0258(2) 0.0272(19) Uani 1 1 d . . .
H16C H 0.7135 0.9825 1.0448 0.033 Uiso 1 1 calc R . .
H16D H 0.7798 0.9428 1.0355 0.033 Uiso 1 1 calc R . .
C17B C 0.6629(6) 0.8915(5) 1.0030(2) 0.0258(18) Uani 1 1 d . . .
C21B C 0.7064(5) 1.1689(5) 0.90444(19) 0.0201(16) Uani 1 1 d . . .
C22B C 0.6390(5) 1.1971(5) 0.90548(19) 0.0205(16) Uani 1 1 d . . .
C23B C 0.6484(5) 1.2785(5) 0.9011(2) 0.0208(16) Uani 1 1 d . . .
H23B H 0.6021 1.2962 0.9012 0.025 Uiso 1 1 calc R . .
C24B C 0.7256(5) 1.3338(5) 0.8966(2) 0.0251(18) Uani 1 1 d . . .
C25B C 0.7925(5) 1.3043(5) 0.8967(2) 0.0236(17) Uani 1 1 d . . .
H25D H 0.8445 1.3397 0.8939 0.028 Uiso 1 1 calc R . .
C26B C 0.7855(5) 1.2252(5) 0.9007(2) 0.0243(18) Uani 1 1 d . . .
C27B C 0.7334(6) 1.4208(5) 0.8928(3) 0.037(2) Uani 1 1 d . . .
H27F H 0.7903 1.4504 0.8902 0.055 Uiso 1 1 calc R . .
H27G H 0.7216 1.4461 0.9129 0.055 Uiso 1 1 calc R . .
H27H H 0.6935 1.4217 0.8727 0.055 Uiso 1 1 calc R . .
C28B C 0.8636(5) 1.1987(5) 0.9038(2) 0.0231(17) Uani 1 1 d . . .
H28C H 0.9140 1.2469 0.9066 0.028 Uiso 1 1 calc R . .
H28D H 0.8684 1.1728 0.9244 0.028 Uiso 1 1 calc R . .
C29B C 0.9450(5) 1.1297(5) 0.8771(2) 0.0261(18) Uani 1 1 d . . .
H29C H 0.9897 1.1819 0.8859 0.031 Uiso 1 1 calc R . .
H29D H 0.9529 1.1106 0.8546 0.031 Uiso 1 1 calc R . .
C30B C 0.9517(5) 1.0680(5) 0.9016(2) 0.0225(17) Uani 1 1 d . . .
C31B C 0.8403(5) 1.1706(5) 0.8412(2) 0.0247(18) Uani 1 1 d . . .
H31E H 0.8719 1.1556 0.8249 0.030 Uiso 1 1 calc R . .
H31F H 0.8586 1.2299 0.8454 0.030 Uiso 1 1 calc R . .
C32B C 0.7456(6) 1.1376(6) 0.8247(2) 0.034(2) Uani 1 1 d . . .
C33B C 0.5536(5) 1.1408(5) 0.9094(2) 0.0200(16) Uani 1 1 d . . .
H33C H 0.5131 1.1699 0.9069 0.024 Uiso 1 1 calc R . .
H33D H 0.5337 1.0946 0.8910 0.024 Uiso 1 1 calc R . .
C34B C 0.4692(5) 1.0491(5) 0.9419(2) 0.0224(17) Uani 1 1 d . . .
H34C H 0.4257 1.0709 0.9323 0.027 Uiso 1 1 calc R . .
H34D H 0.4622 1.0388 0.9651 0.027 Uiso 1 1 calc R . .
C35B C 0.4593(6) 0.9704(5) 0.9199(2) 0.0273(19) Uani 1 1 d . . .
C36B C 0.5745(5) 1.1750(5) 0.9724(2) 0.0228(17) Uani 1 1 d . . .
H36C H 0.5259 1.1933 0.9722 0.027 Uiso 1 1 calc R . .
H36D H 0.6229 1.2213 0.9703 0.027 Uiso 1 1 calc R . .
C37B C 0.5943(5) 1.1433(5) 1.0064(2) 0.0201(16) Uani 1 1 d . . .
C1C C -0.7250(5) -1.2706(5) 0.5996(2) 0.0250(18) Uani 1 1 d . . .
C2C C -0.8048(5) -1.3270(5) 0.6029(2) 0.0252(18) Uani 1 1 d . . .
C3C C -0.8119(6) -1.4072(5) 0.6072(2) 0.030(2) Uani 1 1 d . . .
H3CA H -0.8639 -1.4431 0.6099 0.036 Uiso 1 1 calc R . .
C4C C -0.7439(6) -1.4349(5) 0.6077(2) 0.031(2) Uani 1 1 d . . .
C5C C -0.6667(6) -1.3805(5) 0.6037(2) 0.0255(18) Uani 1 1 d . . .
H5CA H -0.6202 -1.3982 0.6041 0.031 Uiso 1 1 calc R . .
C6C C -0.6573(5) -1.2997(5) 0.5991(2) 0.0257(18) Uani 1 1 d . . .
C7C C -0.7537(7) -1.5229(5) 0.6122(3) 0.041(2) Uani 1 1 d . . .
H7CA H -0.8115 -1.5517 0.6138 0.061 Uiso 1 1 calc R . .
H7CB H -0.7160 -1.5237 0.6329 0.061 Uiso 1 1 calc R . .
H7CC H -0.7399 -1.5489 0.5928 0.061 Uiso 1 1 calc R . .
C8C C -0.8812(5) -1.2997(5) 0.6003(2) 0.0250(18) Uani 1 1 d . . .
H8CA H -0.8856 -1.2735 0.5798 0.030 Uiso 1 1 calc R . .
H8CB H -0.9318 -1.3479 0.5972 0.030 Uiso 1 1 calc R . .
C9C C -0.8621(6) -1.2747(6) 0.6624(2) 0.033(2) Uani 1 1 d . . .
H9CA H -0.8810 -1.3341 0.6578 0.040 Uiso 1 1 calc R . .
H9CB H -0.8938 -1.2598 0.6786 0.040 Uiso 1 1 calc R . .
C10C C -0.7668(6) -1.2418(6) 0.6788(2) 0.036(2) Uani 1 1 d . . .
C11C C -0.9636(5) -1.2313(5) 0.6264(2) 0.031(2) Uani 1 1 d . . .
H11E H -0.9720 -1.2129 0.6489 0.037 Uiso 1 1 calc R . .
H11F H -1.0083 -1.2833 0.6173 0.037 Uiso 1 1 calc R . .
C12C C -0.9698(6) -1.1687(6) 0.6023(3) 0.041(2) Uani 1 1 d . . .
C13C C -0.5725(5) -1.2431(5) 0.5964(2) 0.0257(18) Uani 1 1 d . . .
H13G H -0.5542 -1.1981 0.6153 0.031 Uiso 1 1 calc R . .
H13H H -0.5321 -1.2721 0.5994 0.031 Uiso 1 1 calc R . .
C14C C -0.5824(6) -1.2723(5) 0.5353(2) 0.0265(18) Uani 1 1 d . . .
H14G H -0.6347 -1.3171 0.5347 0.032 Uiso 1 1 calc R . .
H14H H -0.5356 -1.2936 0.5379 0.032 Uiso 1 1 calc R . .
C15C C -0.5884(5) -1.2349(5) 0.5012(2) 0.0252(18) Uani 1 1 d . . .
C16C C -0.4810(5) -1.1466(5) 0.5684(2) 0.0263(18) Uani 1 1 d . . .
H16E H -0.4692 -1.1352 0.5458 0.032 Uiso 1 1 calc R . .
H16F H -0.4391 -1.1686 0.5793 0.032 Uiso 1 1 calc R . .
C17C C -0.4736(6) -1.0682(5) 0.5900(2) 0.0289(19) Uani 1 1 d . . .
C21C C -0.7815(5) -1.0109(5) 0.5608(2) 0.0255(18) Uani 1 1 d . . .
C22C C -0.8328(6) -1.0350(6) 0.5281(2) 0.031(2) Uani 1 1 d . . .
C23C C -0.8715(6) -0.9813(7) 0.5131(3) 0.040(2) Uani 1 1 d . . .
H23C H -0.9055 -0.9974 0.4911 0.048 Uiso 1 1 calc R . .
C24C C -0.8592(6) -0.9050(6) 0.5310(3) 0.040(2) Uani 1 1 d . . .
C25C C -0.8079(6) -0.8813(6) 0.5633(2) 0.031(2) Uani 1 1 d . . .
H25E H -0.7984 -0.8298 0.5751 0.038 Uiso 1 1 calc R . .
C26C C -0.7693(6) -0.9337(5) 0.5787(2) 0.0273(19) Uani 1 1 d . . .
C27C C -0.9009(7) -0.8475(7) 0.5142(3) 0.053(3) Uani 1 1 d . . .
H27I H -0.9325 -0.8732 0.4915 0.080 Uiso 1 1 calc R . .
H27J H -0.8575 -0.7972 0.5126 0.080 Uiso 1 1 calc R . .
H27K H -0.9387 -0.8360 0.5280 0.080 Uiso 1 1 calc R . .
C28C C -0.7129(5) -0.9041(5) 0.6133(2) 0.0238(18) Uani 1 1 d . . .
H28E H -0.7083 -0.8477 0.6201 0.029 Uiso 1 1 calc R . .
H28F H -0.6565 -0.9045 0.6115 0.029 Uiso 1 1 calc R . .
C29C C -0.6765(5) -0.9199(5) 0.6731(2) 0.029(2) Uani 1 1 d . . .
H29E H -0.7018 -0.9350 0.6929 0.035 Uiso 1 1 calc R . .
H29F H -0.6535 -0.8606 0.6756 0.035 Uiso 1 1 calc R . .
C30C C -0.6040(5) -0.9566(5) 0.6712(2) 0.0290(19) Uani 1 1 d . . .
C31C C -0.8226(5) -0.9457(5) 0.6481(2) 0.0277(19) Uani 1 1 d . . .
H31G H -0.8634 -0.9547 0.6267 0.033 Uiso 1 1 calc R . .
H31H H -0.8121 -0.8909 0.6597 0.033 Uiso 1 1 calc R . .
C32C C -0.8589(6) -1.0082(5) 0.6709(2) 0.029(2) Uani 1 1 d . . .
C33C C -0.8479(5) -1.1125(6) 0.5089(2) 0.0278(19) Uani 1 1 d . . .
H33E H -0.9012 -1.1531 0.5048 0.033 Uiso 1 1 calc R . .
O16C O -0.6265(4) -1.0087(4) 0.52628(15) 0.0297(14) Uani 1 1 d . . .
H34E H -0.5745 -0.9697 0.5370 0.036 Uiso 1 1 calc R . .
C35C C -0.6688(6) -0.9915(6) 0.5005(3) 0.035(2) Uani 1 1 d . . .
C36C C -0.8025(6) -1.2081(6) 0.4733(2) 0.032(2) Uani 1 1 d . . .
H36E H -0.7635 -1.2070 0.4578 0.039 Uiso 1 1 calc R . .
H36F H -0.8585 -1.2183 0.4594 0.039 Uiso 1 1 calc R . .
C37C C -0.8060(6) -1.2760(6) 0.4939(3) 0.036(2) Uani 1 1 d . . .
O1W O 0.7378(4) 0.6132(4) 0.85808(17) 0.0393(16) Uani 1 1 d . . .
O2W O 0.4801(4) 0.7928(4) 0.89696(17) 0.0381(16) Uani 1 1 d . . .
O3W O 0.2345(4) 0.2797(5) 0.64410(19) 0.0466(18) Uani 1 1 d . . .
O4W O -0.4899(4) -0.8857(4) 0.61717(17) 0.0376(16) Uani 1 1 d . . .
O5W O 1.1008(4) 1.0279(4) 0.85802(17) 0.0368(15) Uani 1 1 d . . .
O6W O -0.4468(4) -0.9164(4) 0.54781(16) 0.0337(15) Uani 1 1 d . . .
O7W O -0.0937(4) -0.0653(4) 0.73252(19) 0.0404(17) Uani 1 1 d . . .
O8W O 0.0127(4) 0.8239(4) 0.87297(17) 0.0325(14) Uani 1 1 d . . .
O9W O 0.3819(4) 0.9417(5) 0.73581(17) 0.0476(19) Uani 1 1 d . . .
O11W O 0.0726(4) 0.5448(4) 0.8042(2) 0.056(2) Uani 1 1 d . . .
O12W O 1.0880(4) 0.8058(4) 0.80897(17) 0.0396(16) Uani 1 1 d . . .
O13W O -0.1035(5) -0.6584(5) 0.6945(3) 0.074(3) Uani 1 1 d . . .
O14W O -0.4907(4) -0.3223(5) 0.76857(19) 0.050(2) Uani 1 1 d . . .
O15W O 0.2315(4) 0.9359(4) 0.87936(18) 0.0403(16) Uani 1 1 d . . .
O16W O 0.1680(5) 0.7346(4) 0.91147(17) 0.0421(17) Uani 1 1 d . . .
O17W O 0.4837(5) 0.9877(6) 0.8256(2) 0.063(2) Uani 1 1 d . . .
O18W O -0.4059(5) -1.0506(5) 0.77122(19) 0.057(2) Uani 1 1 d . . .
O19W O -0.6044(4) -0.7999(5) 0.5514(2) 0.0496(19) Uani 1 1 d . . .
O20W O 0.8056(6) 1.3486(5) 0.9805(2) 0.062(2) Uani 1 1 d . . .
O21W O 0.5441(5) 0.1102(5) 0.7821(2) 0.064(2) Uani 1 1 d . . .
O23W O 0.2960(7) 0.7334(6) 0.7686(2) 0.084(3) Uani 1 1 d . . .
O24W O 0.5614(5) 0.3592(5) 1.0338(2) 0.067(2) Uani 1 1 d . . .
O25W O 0.5338(5) 0.6868(5) 1.0581(2) 0.067(2) Uani 1 1 d . . .
O26W O 0.3106(6) 0.9093(5) 0.8218(2) 0.066(2) Uani 1 1 d . . .
O27W O -0.1931(6) 0.0891(5) 0.7432(2) 0.071(3) Uani 1 1 d . . .
O28W O 0.3843(6) 1.3132(5) 1.0457(2) 0.070(3) Uani 1 1 d . . .
O30W O -0.2994(7) -0.8614(5) 0.6652(2) 0.078(3) Uani 1 1 d . . .
O31W O -0.5363(6) -0.6365(5) 0.5100(3) 0.078(3) Uani 1 1 d . . .
O33W O -0.3036(7) -0.5019(7) 0.4728(2) 0.092(3) Uani 1 1 d . . .
O35W O -0.4736(7) -0.5411(7) 0.4404(3) 0.088(3) Uani 1 1 d . . .
O36W O 0.1844(7) -0.1741(6) 0.7590(2) 0.081(3) Uani 1 1 d . . .
O37W O 0.6565(7) 1.3849(6) 0.9828(3) 0.095(4) Uani 1 1 d . . .
O38W O -0.3204(9) -0.8254(13) 0.7413(3) 0.236(12) Uani 1 1 d . . .
O39W O 0.0635(6) 0.2378(9) 0.6293(3) 0.122(5) Uani 1 1 d . . .
O40W O -0.2001(7) -0.3058(7) 0.5760(3) 0.090(3) Uani 1 1 d . . .
O41W O -0.6933(8) -0.6543(6) 0.5383(3) 0.095(4) Uani 1 1 d . . .
O42W O -0.3613(13) -0.3377(10) 0.5453(4) 0.277(14) Uani 1 1 d . . .
O43W O 0.7093(8) 1.5477(6) 0.9705(3) 0.097(4) Uani 1 1 d . . .
O44W O -0.8138(9) -1.4297(7) 0.5292(2) 0.102(4) Uani 1 1 d . . .
O45W O -0.2068(7) -0.8923(9) 0.6084(3) 0.112(4) Uani 1 1 d . . .
O46W O 0.4757(9) 0.5116(7) 1.0360(3) 0.122(5) Uani 1 1 d . . .
O54W O 0.0084(7) 0.0146(10) 0.4326(3) 0.128(5) Uani 1 1 d . . .
C1W C -0.0679(7) -0.3706(7) 0.9035(3) 0.048(3) Uani 1 1 d . . .
O50W O 0.7365(8) -0.0142(11) 0.6341(6) 0.255(13) Uani 1 1 d . . .
O55W O 0.6612(10) 0.9913(9) 0.6895(5) 0.250(13) Uani 1 1 d . . .
O10W O -0.0932(4) -0.3412(4) 0.87238(18) 0.0147(18) Uiso 0.713(12) 1 d P A 1
O10Y O -0.0367(10) -0.4409(10) 0.8961(4) 0.011(4) Uiso 0.287(12) 1 d P A 2
O51W O -0.1595(9) 0.0916(9) 0.6758(4) 0.085(5) Uiso 0.716(12) 1 d P B 1
O51Y O -0.0500(15) 0.2212(14) 0.6779(6) 0.037(7) Uiso 0.284(12) 1 d P B 2
O62W O -0.0132(12) -0.5023(11) 0.5501(5) 0.082(6) Uani 0.50 1 d P . .
O63W O -0.0163(11) 0.0969(13) 0.6629(5) 0.081(6) Uani 0.50 1 d P . .
O64W O 0.883(3) 1.5237(14) 0.9837(6) 0.174(16) Uani 0.50 1 d P . .
O65W O -0.0672(14) -0.908(2) 0.5941(8) 0.22(2) Uani 0.50 1 d P . .
C3S C -0.1217(17) 0.1728(15) 0.6895(7) 0.066(8) Uani 0.50 1 d P . .
O22W O 0.4331(5) 0.7821(5) 0.7246(2) 0.031(2) Uani 0.716(12) 1 d P . .
O29W O 0.4729(7) 0.2179(8) 0.73739(19) 0.169(8) Uani 1 1 d . . .
O32W O -0.5100(6) -1.0999(7) 0.6801(2) 0.078(3) Uani 1 1 d . . .
O34W O 0.0071(7) 0.6585(5) 0.8231(2) 0.078(3) Uani 1 1 d . . .
O67W O -0.1754(13) -0.162(2) 0.5821(6) 0.162(15) Uani 0.50 1 d P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Dy1 O2 109.4(2) . .
O1 Dy1 O4 80.05(19) . .
O2 Dy1 O4 132.0(2) . .
O1 Dy1 O10 69.26(18) . .
O2 Dy1 O10 74.95(19) . .
O4 Dy1 O10 145.56(19) . .
O1 Dy1 O12 86.26(19) . .
O2 Dy1 O12 147.27(19) . .
O4 Dy1 O12 77.7(2) . .
O10 Dy1 O12 84.85(19) . .
O1 Dy1 O13 152.84(18) . .
O2 Dy1 O13 79.55(19) . .
O4 Dy1 O13 75.46(19) . .
O10 Dy1 O13 137.36(18) . .
O12 Dy1 O13 99.69(19) . .
O1 Dy1 N3 138.88(19) . .
O2 Dy1 N3 83.7(2) . .
O4 Dy1 N3 120.5(2) . .
O10 Dy1 N3 77.58(19) . .
O12 Dy1 N3 66.78(19) . .
O13 Dy1 N3 66.01(19) . .
O1 Dy1 N1 82.9(2) . .
O2 Dy1 N1 66.6(2) . .
O4 Dy1 N1 68.3(2) . .
O10 Dy1 N1 120.8(2) . .
O12 Dy1 N1 145.6(2) . .
O13 Dy1 N1 77.3(2) . .
N3 Dy1 N1 136.4(2) . .
O1 Dy1 Dy2 35.49(13) . .
O2 Dy1 Dy2 97.45(14) . .
O4 Dy1 Dy2 111.84(14) . .
O10 Dy1 Dy2 34.68(12) . .
O12 Dy1 Dy2 78.57(14) . .
O13 Dy1 Dy2 171.67(13) . .
N3 Dy1 Dy2 106.04(14) . .
N1 Dy1 Dy2 108.80(15) . .
O10 Dy2 O15 107.92(19) . .
O10 Dy2 O1 69.77(19) . .
O15 Dy2 O1 73.0(2) . .
O10 Dy2 O8 92.97(19) . .
O15 Dy2 O8 148.7(2) . .
O1 Dy2 O8 93.7(2) . .
O10 Dy2 O6 156.2(2) . .
O15 Dy2 O6 78.5(2) . .
O1 Dy2 O6 133.10(19) . .
O8 Dy2 O6 91.8(2) . .
O10 Dy2 O17 80.8(2) . .
O15 Dy2 O17 130.0(2) . .
O1 Dy2 O17 148.03(19) . .
O8 Dy2 O17 75.1(2) . .
O6 Dy2 O17 77.9(2) . .
O10 Dy2 N4 82.4(2) . .
O15 Dy2 N4 66.1(2) . .
O1 Dy2 N4 119.4(2) . .
O8 Dy2 N4 141.7(2) . .
O6 Dy2 N4 79.5(2) . .
O17 Dy2 N4 66.6(2) . .
O10 Dy2 N2 138.2(2) . .
O15 Dy2 N2 82.9(2) . .
O1 Dy2 N2 75.7(2) . .
O8 Dy2 N2 66.2(2) . .
O6 Dy2 N2 64.3(2) . .
O17 Dy2 N2 123.5(2) . .
N4 Dy2 N2 136.5(2) . .
O10 Dy2 Dy1 35.70(13) . .
O15 Dy2 Dy1 95.54(15) . .
O1 Dy2 Dy1 34.98(13) . .
O8 Dy2 Dy1 88.01(15) . .
O6 Dy2 Dy1 167.94(14) . .
O17 Dy2 Dy1 113.58(15) . .
N4 Dy2 Dy1 107.84(15) . .
N2 Dy2 Dy1 104.78(16) . .
O11A Dy3 O12A 110.6(2) . .
O11A Dy3 O14A 80.1(2) . .
O12A Dy3 O14A 132.1(2) . .
O11A Dy3 O1A 69.49(18) . .
O12A Dy3 O1A 74.3(2) . .
O14A Dy3 O1A 146.29(19) . .
O11A Dy3 O2A 85.6(2) . .
O12A Dy3 O2A 148.9(2) . .
O14A Dy3 O2A 75.4(2) . .
O1A Dy3 O2A 87.9(2) . .
O11A Dy3 O4A 153.56(19) . .
O12A Dy3 O4A 78.1(2) . .
O14A Dy3 O4A 76.20(19) . .
O1A Dy3 O4A 136.24(18) . .
O2A Dy3 O4A 99.3(3) . .
O11A Dy3 N1A 138.3(2) . .
O12A Dy3 N1A 83.3(2) . .
O14A Dy3 N1A 120.4(2) . .
O1A Dy3 N1A 77.6(2) . .
O2A Dy3 N1A 67.9(2) . .
O4A Dy3 N1A 65.9(2) . .
O11A Dy3 N21A 82.8(2) . .
O12A Dy3 N21A 67.2(2) . .
O14A Dy3 N21A 68.3(2) . .
O1A Dy3 N21A 119.8(2) . .
O2A Dy3 N21A 143.2(2) . .
O4A Dy3 N21A 77.8(2) . .
N1A Dy3 N21A 137.2(2) . .
O11A Dy3 Dy4 35.57(13) . .
O12A Dy3 Dy4 97.18(15) . .
O14A Dy3 Dy4 112.47(14) . .
O1A Dy3 Dy4 34.68(13) . .
O2A Dy3 Dy4 80.6(2) . .
O4A Dy3 Dy4 170.80(13) . .
N1A Dy3 Dy4 105.94(16) . .
N21A Dy3 Dy4 107.87(15) . .
O1A Dy4 O8A 105.5(2) . .
O1A Dy4 O16A 91.1(2) . .
O8A Dy4 O16A 149.6(2) . .
O1A Dy4 O11A 69.24(19) . .
O8A Dy4 O11A 72.0(2) . .
O16A Dy4 O11A 91.2(2) . .
O1A Dy4 O18A 156.4(2) . .
O8A Dy4 O18A 77.2(2) . .
O16A Dy4 O18A 97.7(2) . .
O11A Dy4 O18A 131.96(19) . .
O1A Dy4 O6A 80.8(2) . .
O8A Dy4 O6A 131.5(2) . .
O16A Dy4 O6A 75.4(2) . .
O11A Dy4 O6A 147.0(2) . .
O18A Dy4 O6A 80.3(2) . .
O1A Dy4 N2A 81.4(2) . .
O8A Dy4 N2A 66.7(2) . .
O16A Dy4 N2A 142.4(2) . .
O11A Dy4 N2A 119.5(2) . .
O18A Dy4 N2A 78.2(2) . .
O6A Dy4 N2A 67.0(2) . .
O1A Dy4 N22A 138.3(2) . .
O8A Dy4 N22A 84.8(2) . .
O16A Dy4 N22A 66.4(2) . .
O11A Dy4 N22A 76.3(2) . .
O18A Dy4 N22A 64.9(2) . .
O6A Dy4 N22A 122.6(2) . .
N2A Dy4 N22A 137.6(2) . .
O1A Dy4 Dy3 35.56(13) . .
O8A Dy4 Dy3 92.95(15) . .
O16A Dy4 Dy3 85.97(16) . .
O11A Dy4 Dy3 34.43(13) . .
O18A Dy4 Dy3 166.29(14) . .
O6A Dy4 Dy3 113.36(16) . .
N2A Dy4 Dy3 106.83(16) . .
N22A Dy4 Dy3 105.19(15) . .
O11B Dy5 O1B 70.86(19) . .
O11B Dy5 O14B 80.09(19) . .
O1B Dy5 O14B 146.74(19) . .
O11B Dy5 O12B 106.2(2) . .
O1B Dy5 O12B 73.69(19) . .
O14B Dy5 O12B 131.7(2) . .
O11B Dy5 O4B 154.52(18) . .
O1B Dy5 O4B 133.29(18) . .
O14B Dy5 O4B 78.44(19) . .
O12B Dy5 O4B 78.68(19) . .
O11B Dy5 O2B 88.76(19) . .
O1B Dy5 O2B 88.75(19) . .
O14B Dy5 O2B 74.5(2) . .
O12B Dy5 O2B 151.0(2) . .
O4B Dy5 O2B 98.50(19) . .
O11B Dy5 N21B 80.8(2) . .
O1B Dy5 N21B 120.9(2) . .
O14B Dy5 N21B 68.0(2) . .
O12B Dy5 N21B 66.1(2) . .
O4B Dy5 N21B 78.5(2) . .
O2B Dy5 N21B 142.2(2) . .
O11B Dy5 N1B 139.4(2) . .
O1B Dy5 N1B 76.7(2) . .
O14B Dy5 N1B 119.7(2) . .
O12B Dy5 N1B 86.9(2) . .
O4B Dy5 N1B 64.79(19) . .
O2B Dy5 N1B 66.4(2) . .
N21B Dy5 N1B 138.2(2) . .
O11B Dy5 Dy6 35.67(13) . .
O1B Dy5 Dy6 35.83(13) . .
O14B Dy5 Dy6 112.31(14) . .
O12B Dy5 Dy6 94.49(14) . .
O4B Dy5 Dy6 169.11(13) . .
O2B Dy5 Dy6 83.33(13) . .
N21B Dy5 Dy6 106.63(15) . .
N1B Dy5 Dy6 106.72(14) . .
O8B Dy6 O6B 133.4(2) . .
O8B Dy6 O11B 141.9(2) . .
O6B Dy6 O11B 73.69(19) . .
O8B Dy6 O1B 76.88(19) . .
O6B Dy6 O1B 103.1(2) . .
O11B Dy6 O1B 69.87(18) . .
O8B Dy6 O18B 82.8(2) . .
O6B Dy6 O18B 78.3(2) . .
O11B Dy6 O18B 134.27(19) . .
O1B Dy6 O18B 153.06(18) . .
O8B Dy6 O16B 74.5(2) . .
O6B Dy6 O16B 150.65(19) . .
O11B Dy6 O16B 87.70(19) . .
O1B Dy6 O16B 91.0(2) . .
O18B Dy6 O16B 100.5(2) . .
O8B Dy6 N22B 121.6(2) . .
O6B Dy6 N22B 88.0(2) . .
O11B Dy6 N22B 78.12(19) . .
O1B Dy6 N22B 141.1(2) . .
O18B Dy6 N22B 65.3(2) . .
O16B Dy6 N22B 65.7(2) . .
O8B Dy6 N2B 68.0(2) . .
O6B Dy6 N2B 66.2(2) . .
O11B Dy6 N2B 121.9(2) . .
O1B Dy6 N2B 80.2(2) . .
O18B Dy6 N2B 75.8(2) . .
O16B Dy6 N2B 142.6(2) . .
N22B Dy6 N2B 137.1(2) . .
O8B Dy6 Dy5 108.34(15) . .
O6B Dy6 Dy5 92.56(14) . .
O11B Dy6 Dy5 35.09(13) . .
O1B Dy6 Dy5 35.42(13) . .
O18B Dy6 Dy5 168.76(14) . .
O16B Dy6 Dy5 84.17(14) . .
N22B Dy6 Dy5 108.21(15) . .
N2B Dy6 Dy5 106.67(15) . .
O11C Dy7 O18C 105.3(2) . .
O11C Dy7 O16C 80.0(2) . .
O18C Dy7 O16C 131.8(2) . .
O11C Dy7 O1C 68.86(19) . .
O18C Dy7 O1C 74.4(2) . .
O16C Dy7 O1C 144.7(2) . .
O11C Dy7 O8C 90.3(2) . .
O18C Dy7 O8C 150.4(2) . .
O16C Dy7 O8C 74.9(2) . .
O1C Dy7 O8C 88.6(2) . .
O11C Dy7 O6C 155.00(19) . .
O18C Dy7 O6C 77.7(2) . .
O16C Dy7 O6C 79.9(2) . .
O1C Dy7 O6C 134.22(19) . .
O8C Dy7 O6C 98.7(2) . .
O11C Dy7 N2C 139.9(2) . .
O18C Dy7 N2C 85.7(2) . .
O16C Dy7 N2C 121.1(2) . .
O1C Dy7 N2C 77.8(2) . .
O8C Dy7 N2C 66.8(2) . .
O6C Dy7 N2C 64.4(2) . .
O11C Dy7 N22C 81.7(2) . .
O18C Dy7 N22C 66.8(2) . .
O16C Dy7 N22C 66.9(2) . .
O1C Dy7 N22C 122.1(2) . .
O8C Dy7 N22C 141.7(2) . .
O6C Dy7 N22C 76.8(2) . .
N2C Dy7 N22C 136.5(2) . .
O11C Dy7 Dy8 35.10(13) . .
O18C Dy7 Dy8 95.13(14) . .
O16C Dy7 Dy8 111.09(15) . .
O1C Dy7 Dy8 34.69(13) . .
O8C Dy7 Dy8 83.25(15) . .
O6C Dy7 Dy8 168.90(13) . .
N2C Dy7 Dy8 106.93(14) . .
N22C Dy7 Dy8 108.41(16) . .
O1C Dy8 O4C 105.6(2) . .
O1C Dy8 O11C 69.09(19) . .
O4C Dy8 O11C 74.5(2) . .
O1C Dy8 O2C 80.9(2) . .
O4C Dy8 O2C 132.1(2) . .
O11C Dy8 O2C 145.4(2) . .
O1C Dy8 O12C 89.6(2) . .
O4C Dy8 O12C 151.7(2) . .
O11C Dy8 O12C 89.5(2) . .
O2C Dy8 O12C 73.0(2) . .
O1C Dy8 O14C 155.9(2) . .
O4C Dy8 O14C 78.1(2) . .
O11C Dy8 O14C 133.50(19) . .
O2C Dy8 O14C 79.4(2) . .
O12C Dy8 O14C 97.8(2) . .
O1C Dy8 N1C 81.7(2) . .
O4C Dy8 N1C 66.0(2) . .
O11C Dy8 N1C 121.6(2) . .
O2C Dy8 N1C 68.2(2) . .
O12C Dy8 N1C 141.1(2) . .
O14C Dy8 N1C 78.1(2) . .
O1C Dy8 N21C 138.5(2) . .
O4C Dy8 N21C 87.4(2) . .
O11C Dy8 N21C 77.2(2) . .
O2C Dy8 N21C 119.3(2) . .
O12C Dy8 N21C 66.0(2) . .
O14C Dy8 N21C 64.6(2) . .
N1C Dy8 N21C 138.2(2) . .
O1C Dy8 Dy7 35.46(14) . .
O4C Dy8 Dy7 95.22(16) . .
O11C Dy8 Dy7 34.57(13) . .
O2C Dy8 Dy7 112.16(15) . .
O12C Dy8 Dy7 83.38(15) . .
O14C Dy8 Dy7 168.06(14) . .
N1C Dy8 Dy7 108.42(15) . .
N21C Dy8 Dy7 105.57(15) . .
O5 Na1 O7W 94.7(2) . .
O5 Na1 O5A 169.6(3) . .
O7W Na1 O5A 88.7(2) . .
O5 Na1 O4B 96.7(2) . 1_445
O7W Na1 O4B 141.0(3) . 1_445
O5A Na1 O4B 86.7(2) . 1_445
O5 Na1 O27W 77.0(3) . .
O7W Na1 O27W 96.9(3) . .
O5A Na1 O27W 92.9(3) . .
O4B Na1 O27W 121.9(3) 1_445 .
O5 Na1 O5B 100.2(3) . 1_445
O7W Na1 O5B 87.3(2) . 1_445
O5A Na1 O5B 89.7(2) . 1_445
O4B Na1 O5B 54.00(19) 1_445 1_445
O27W Na1 O5B 175.1(3) . 1_445
O5 Na1 C12B 104.2(3) . 1_445
O7W Na1 C12B 113.4(3) . 1_445
O5A Na1 C12B 83.3(3) . 1_445
O4B Na1 C12B 27.7(2) 1_445 1_445
O27W Na1 C12B 149.3(3) . 1_445
O5B Na1 C12B 27.1(2) 1_445 1_445
O5 Na1 Na14 65.7(2) . .
O7W Na1 Na14 44.3(2) . .
O5A Na1 Na14 122.4(2) . .
O4B Na1 Na14 109.29(19) 1_445 .
O27W Na1 Na14 119.0(3) . .
O5B Na1 Na14 62.70(17) 1_445 .
C12B Na1 Na14 87.9(2) 1_445 .
O5 Na1 Na4 76.9(2) . 1_445
O7W Na1 Na4 71.8(2) . 1_445
O5A Na1 Na4 113.5(2) . 1_445
O4B Na1 Na4 74.72(16) 1_445 1_445
O27W Na1 Na4 150.5(3) . 1_445
O5B Na1 Na4 29.39(14) 1_445 1_445
C12B Na1 Na4 52.66(18) 1_445 1_445
Na14 Na1 Na4 35.43(11) . 1_445
O7 Na2 O17B 170.7(3) . .
O7 Na2 O19B 96.0(3) . 2_677
O17B Na2 O19B 91.3(3) . 2_677
O7 Na2 Na15 83.9(3) . .
O17B Na2 Na15 88.3(2) . .
O19B Na2 Na15 174.8(3) 2_677 .
O7 Na2 O2W 100.6(3) . .
O17B Na2 O2W 85.6(3) . .
O19B Na2 O2W 85.5(2) 2_677 .
Na15 Na2 O2W 99.7(3) . .
O7 Na2 O16W 63.0(2) . .
O17B Na2 O16W 109.9(3) . .
O19B Na2 O16W 102.5(2) 2_677 .
Na15 Na2 O16W 72.8(2) . .
O2W Na2 O16W 162.1(3) . .
O7 Na2 C35B 168.3(3) . .
O17B Na2 C35B 20.9(2) . .
O19B Na2 C35B 75.0(2) 2_677 .
Na15 Na2 C35B 105.7(2) . .
O2W Na2 C35B 71.7(2) . .
O16W Na2 C35B 125.6(3) . .
O7 Na2 Na10 88.4(2) . 2_677
O17B Na2 Na10 100.8(2) . 2_677
O19B Na2 Na10 43.12(17) 2_677 2_677
Na15 Na2 Na10 142.0(2) . 2_677
O2W Na2 Na10 45.40(18) . 2_677
O16W Na2 Na10 134.70(19) . 2_677
C35B Na2 Na10 79.97(18) . 2_677
O7 Na2 Na5 88.36(19) . .
O17B Na2 Na5 82.5(2) . .
O19B Na2 Na5 131.4(2) 2_677 .
Na15 Na2 Na5 43.43(17) . .
O2W Na2 Na5 141.3(2) . .
O16W Na2 Na5 38.65(15) . .
C35B Na2 Na5 103.13(19) . .
Na10 Na2 Na5 173.12(14) 2_677 .
O15A Na3 O36W 85.4(4) . .
O15A Na3 O14 170.2(3) . .
O36W Na3 O14 85.8(3) . .
O15A Na3 Na14 93.4(2) . .
O36W Na3 Na14 96.8(3) . .
O14 Na3 Na14 91.7(2) . .
O15A Na3 O14C 95.8(2) . 1_665
O36W Na3 O14C 117.4(3) . 1_665
O14 Na3 O14C 84.6(2) . 1_665
Na14 Na3 O14C 145.1(3) . 1_665
O15A Na3 O15C 97.7(3) . 1_665
O36W Na3 O15C 170.1(3) . 1_665
O14 Na3 O15C 90.4(3) . 1_665
Na14 Na3 O15C 92.4(2) . 1_665
O14C Na3 O15C 53.1(2) 1_665 1_665
O15A Na3 C32C 103.2(3) . 1_665
O36W Na3 C32C 143.3(3) . 1_665
O14 Na3 C32C 81.7(3) . 1_665
Na14 Na3 C32C 117.8(3) . 1_665
O14C Na3 C32C 27.3(2) 1_665 1_665
O15C Na3 C32C 26.9(2) 1_665 1_665
O5B Na4 O12W 129.2(3) . .
O5B Na4 O5W 106.1(3) . .
O12W Na4 O5W 124.6(3) . .
O5B Na4 Na14 97.4(2) . 1_665
O12W Na4 Na14 85.3(3) . 1_665
O5W Na4 Na14 91.4(3) . 1_665
O5B Na4 O8W 94.4(2) . 1_655
O12W Na4 O8W 79.4(2) . 1_655
O5W Na4 O8W 95.1(3) . 1_655
Na14 Na4 O8W 164.4(3) 1_665 1_655
O5B Na4 Na5 135.9(2) . 1_655
O12W Na4 Na5 43.51(18) . 1_655
O5W Na4 Na5 95.8(2) . 1_655
Na14 Na4 Na5 120.3(2) 1_665 1_655
O8W Na4 Na5 45.03(16) 1_655 1_655
O5B Na4 Na1 32.25(17) . 1_665
O12W Na4 Na1 135.7(2) . 1_665
O5W Na4 Na1 92.2(2) . 1_665
Na14 Na4 Na1 68.50(17) 1_665 1_665
O8W Na4 Na1 125.19(18) 1_655 1_665
Na5 Na4 Na1 167.86(13) 1_655 1_665
O16W Na5 O12W 155.8(3) . 1_455
O16W Na5 O15W 108.5(3) . .
O12W Na5 O15W 94.8(3) 1_455 .
O16W Na5 O8W 103.9(3) . .
O12W Na5 O8W 79.7(2) 1_455 .
O15W Na5 O8W 95.8(3) . .
O16W Na5 Na15 83.1(2) . .
O12W Na5 Na15 91.2(2) 1_455 .
O15W Na5 Na15 88.0(2) . .
O8W Na5 Na15 170.4(3) . .
O16W Na5 O34W 98.0(3) . .
O12W Na5 O34W 59.2(3) 1_455 .
O15W Na5 O34W 153.5(3) . .
O8W Na5 O34W 76.3(3) . .
Na15 Na5 O34W 96.4(3) . .
O16W Na5 Na4 149.7(2) . 1_455
O12W Na5 Na4 42.64(18) 1_455 1_455
O15W Na5 Na4 75.27(19) . 1_455
O8W Na5 Na4 46.24(16) . 1_455
Na15 Na5 Na4 127.2(2) . 1_455
O34W Na5 Na4 81.38(19) . 1_455
O16W Na5 Na2 51.8(2) . .
O12W Na5 Na2 132.2(2) 1_455 .
O15W Na5 Na2 75.77(19) . .
O8W Na5 Na2 147.0(2) . .
Na15 Na5 Na2 42.57(16) . .
O34W Na5 Na2 124.0(2) . .
Na4 Na5 Na2 149.59(14) 1_455 .
O19W Na6 O18A 118.8(3) . .
O19W Na6 O7C 86.2(3) . 2_436
O18A Na6 O7C 85.1(2) . 2_436
O19W Na6 O6W 108.5(3) . .
O18A Na6 O6W 131.6(3) . .
O7C Na6 O6W 88.3(2) 2_436 .
O19W Na6 O4W 101.9(3) . .
O18A Na6 O4W 102.9(3) . .
O7C Na6 O4W 163.6(3) 2_436 .
O6W Na6 O4W 75.7(2) . .
O19W Na6 O19A 170.1(3) . .
O18A Na6 O19A 53.7(2) . .
O7C Na6 O19A 86.6(2) 2_436 .
O6W Na6 O19A 78.1(2) . .
O4W Na6 O19A 86.8(2) . .
O19W Na6 C37A 144.1(3) . .
O18A Na6 C37A 27.8(2) . .
O7C Na6 C37A 79.5(3) 2_436 .
O6W Na6 C37A 103.9(3) . .
O4W Na6 C37A 100.8(3) . .
O19A Na6 C37A 27.0(2) . .
O19W Na6 Na8 146.3(3) . .
O18A Na6 Na8 90.1(2) . .
O7C Na6 Na8 115.1(2) 2_436 .
O6W Na6 Na8 50.48(18) . .
O4W Na6 Na8 51.46(18) . .
O19A Na6 Na8 43.62(17) . .
C37A Na6 Na8 68.7(2) . .
O9B Na7 O11 93.9(3) . 2_667
O9B Na7 Na16 120.5(3) . 2_667
O11 Na7 Na16 86.8(3) 2_667 2_667
O9B Na7 O9 100.6(3) . 2_667
O11 Na7 O9 165.5(3) 2_667 2_667
Na16 Na7 O9 85.2(2) 2_667 2_667
O9B Na7 O25W 92.9(3) . .
O11 Na7 O25W 96.9(3) 2_667 .
Na16 Na7 O25W 146.2(3) 2_667 .
O9 Na7 O25W 83.3(3) 2_667 .
O9B Na7 O8 146.5(3) . 2_667
O11 Na7 O8 115.3(2) 2_667 2_667
Na16 Na7 O8 79.3(2) 2_667 2_667
O9 Na7 O8 51.3(2) 2_667 2_667
O25W Na7 O8 68.7(3) . 2_667
O9B Na7 C16 127.3(3) . 2_667
O11 Na7 C16 138.8(3) 2_667 2_667
Na16 Na7 C16 73.0(3) 2_667 2_667
O9 Na7 C16 26.7(2) 2_667 2_667
O25W Na7 C16 82.7(3) . 2_667
O8 Na7 C16 27.1(2) 2_667 2_667
O9B Na7 C28 117.8(3) . 2_667
O11 Na7 C28 24.3(2) 2_667 2_667
Na16 Na7 C28 79.0(2) 2_667 2_667
O9 Na7 C28 141.5(3) 2_667 2_667
O25W Na7 C28 90.6(3) . 2_667
O8 Na7 C28 91.1(2) 2_667 2_667
C16 Na7 C28 114.8(3) 2_667 2_667
O9B Na7 O12 141.5(3) . 2_667
O11 Na7 O12 47.85(19) 2_667 2_667
Na16 Na7 O12 62.6(2) 2_667 2_667
O9 Na7 O12 117.7(2) 2_667 2_667
O25W Na7 O12 95.3(3) . 2_667
O8 Na7 O12 70.27(19) 2_667 2_667
C16 Na7 O12 91.0(2) 2_667 2_667
C28 Na7 O12 24.95(19) 2_667 2_667
O9B Na7 Na12 73.5(2) . 2_667
O11 Na7 Na12 143.8(3) 2_667 2_667
Na16 Na7 Na12 129.0(2) 2_667 2_667
O9 Na7 Na12 44.23(19) 2_667 2_667
O25W Na7 Na12 51.5(3) . 2_667
O8 Na7 Na12 73.17(19) 2_667 2_667
C16 Na7 Na12 62.9(2) 2_667 2_667
C28 Na7 Na12 142.0(2) 2_667 2_667
O12 Na7 Na12 137.9(2) 2_667 2_667
O19A Na8 O9C 172.9(3) . .
O19A Na8 O30W 97.3(3) . .
O9C Na8 O30W 89.3(3) . .
O19A Na8 O45W 91.2(4) . .
O9C Na8 O45W 92.6(4) . .
O30W Na8 O45W 79.1(4) . .
O19A Na8 O6W 84.4(3) . .
O9C Na8 O6W 88.5(3) . .
O30W Na8 O6W 160.3(3) . .
O45W Na8 O6W 120.5(3) . .
O19A Na8 O4W 93.6(3) . .
O9C Na8 O4W 84.3(3) . .
O30W Na8 O4W 86.3(3) . .
O45W Na8 O4W 165.1(4) . .
O6W Na8 O4W 74.1(2) . .
O19A Na8 C17C 152.5(3) . .
O9C Na8 C17C 20.6(2) . .
O30W Na8 C17C 105.4(3) . .
O45W Na8 C17C 107.9(4) . .
O6W Na8 C17C 69.0(2) . .
O4W Na8 C17C 73.2(2) . .
O19A Na8 Na6 53.2(2) . .
O9C Na8 Na6 121.3(2) . .
O30W Na8 Na6 116.8(3) . .
O45W Na8 Na6 140.9(4) . .
O6W Na8 Na6 49.52(17) . .
O4W Na8 Na6 49.86(18) . .
C17C Na8 Na6 101.9(2) . .
O31W Na9 O31W 180.0(5) . 2_446
O31W Na9 O17A 91.0(3) . .
O31W Na9 O17A 89.0(3) 2_446 .
O31W Na9 O17A 89.0(3) . 2_446
O31W Na9 O17A 91.0(3) 2_446 2_446
O17A Na9 O17A 180.0(3) . 2_446
O31W Na9 O35W 89.8(3) . 2_446
O31W Na9 O35W 90.2(3) 2_446 2_446
O17A Na9 O35W 83.1(3) . 2_446
O17A Na9 O35W 96.9(3) 2_446 2_446
O31W Na9 O35W 90.2(3) . .
O31W Na9 O35W 89.8(3) 2_446 .
O17A Na9 O35W 96.9(3) . .
O17A Na9 O35W 83.1(3) 2_446 .
O35W Na9 O35W 180.000(2) 2_446 .
O19B Na10 O24W 86.3(3) . 1_565
O19B Na10 O8B 90.0(3) . 2_677
O24W Na10 O8B 152.0(3) 1_565 2_677
O19B Na10 O2W 84.2(2) . 2_677
O24W Na10 O2W 109.6(3) 1_565 2_677
O8B Na10 O2W 97.6(2) 2_677 2_677
O19B Na10 O28W 160.8(3) . .
O24W Na10 O28W 74.8(3) 1_565 .
O8B Na10 O28W 105.0(3) 2_677 .
O2W Na10 O28W 105.2(3) 2_677 .
O19B Na10 O9B 111.7(3) . 2_677
O24W Na10 O9B 103.9(3) 1_565 2_677
O8B Na10 O9B 52.2(2) 2_677 2_677
O2W Na10 O9B 143.8(3) 2_677 2_677
O28W Na10 O9B 70.5(3) . 2_677
O19B Na10 C17B 102.2(3) . 2_677
O24W Na10 C17B 128.7(3) 1_565 2_677
O8B Na10 C17B 26.2(2) 2_677 2_677
O2W Na10 C17B 121.5(3) 2_677 2_677
O28W Na10 C17B 87.3(3) . 2_677
O9B Na10 C17B 26.0(2) 2_677 2_677
O19B Na10 Na2 42.27(16) . 2_677
O24W Na10 Na2 88.1(3) 1_565 2_677
O8B Na10 Na2 107.5(2) 2_677 2_677
O2W Na10 Na2 44.92(17) 2_677 2_677
O28W Na10 Na2 138.1(3) . 2_677
O9B Na10 Na2 151.4(2) 2_677 2_677
C17B Na10 Na2 131.2(2) 2_677 2_677
O19B Na10 Na12 115.6(2) . 1_565
O24W Na10 Na12 40.7(2) 1_565 1_565
O8B Na10 Na12 119.6(2) 2_677 1_565
O2W Na10 Na12 136.3(2) 2_677 1_565
O28W Na10 Na12 46.4(2) . 1_565
O9B Na10 Na12 67.41(19) 2_677 1_565
C17B Na10 Na12 93.4(2) 2_677 1_565
Na2 Na10 Na12 128.74(17) 2_677 1_565
O22W Na11 O9W 81.7(3) . .
O22W Na11 O3B 103.2(3) . .
O9W Na11 O3B 173.8(4) . .
O22W Na11 O17W 162.6(4) . .
O9W Na11 O17W 91.4(3) . .
O3B Na11 O17W 82.8(3) . .
O22W Na11 O18W 86.5(3) . 1_675
O9W Na11 O18W 90.6(3) . 1_675
O3B Na11 O18W 85.9(3) . 1_675
O17W Na11 O18W 77.6(3) . 1_675
O22W Na11 O23W 73.2(3) . .
O9W Na11 O23W 96.3(3) . .
O3B Na11 O23W 88.9(3) . .
O17W Na11 O23W 123.6(3) . .
O18W Na11 O23W 157.3(3) 1_675 .
O22W Na11 Na13 81.3(3) . 1_675
O9W Na11 Na13 46.2(2) . 1_675
O3B Na11 Na13 130.1(3) . 1_675
O17W Na11 Na13 82.4(3) . 1_675
O18W Na11 Na13 44.3(2) 1_675 1_675
O23W Na11 Na13 137.8(3) . 1_675
O24W Na12 O9 156.9(4) . .
O24W Na12 O46W 94.5(4) . .
O9 Na12 O46W 99.0(4) . .
O24W Na12 O46W 105.6(4) . 2_667
O9 Na12 O46W 95.1(4) . 2_667
O46W Na12 O46W 80.5(6) . 2_667
O24W Na12 O28W 75.7(3) . 1_545
O9 Na12 O28W 86.1(3) . 1_545
O46W Na12 O28W 87.9(4) . 1_545
O46W Na12 O28W 168.4(5) 2_667 1_545
O24W Na12 O25W 95.0(4) . 2_667
O9 Na12 O25W 83.0(3) . 2_667
O46W Na12 O25W 149.1(4) . 2_667
O46W Na12 O25W 68.6(4) 2_667 2_667
O28W Na12 O25W 123.0(4) 1_545 2_667
O24W Na12 Na7 115.3(3) . 2_667
O9 Na12 Na7 47.9(2) . 2_667
O46W Na12 Na7 146.6(4) . 2_667
O46W Na12 Na7 103.8(3) 2_667 2_667
O28W Na12 Na7 85.5(3) 1_545 2_667
O25W Na12 Na7 47.6(2) 2_667 2_667
O24W Na12 Na10 42.6(2) . 1_545
O9 Na12 Na10 114.2(3) . 1_545
O46W Na12 Na10 116.1(3) . 1_545
O46W Na12 Na10 141.7(4) 2_667 1_545
O28W Na12 Na10 45.6(2) 1_545 1_545
O25W Na12 Na10 90.2(3) 2_667 1_545
Na7 Na12 Na10 81.16(16) 2_667 1_545
O24W Na12 Na12 103.3(3) . 2_667
O9 Na12 Na12 99.2(3) . 2_667
O46W Na12 Na12 41.7(3) . 2_667
O46W Na12 Na12 38.8(3) 2_667 2_667
O28W Na12 Na12 129.6(4) 1_545 2_667
O25W Na12 Na12 107.4(3) 2_667 2_667
Na7 Na12 Na12 133.8(2) 2_667 2_667
Na10 Na12 Na12 144.0(2) 1_545 2_667
O13C Na13 O21W 100.9(4) . 1_445
O13C Na13 O18W 176.8(4) . .
O21W Na13 O18W 82.2(3) 1_445 .
O13C Na13 O9W 86.6(3) . 1_435
O21W Na13 O9W 88.4(3) 1_445 1_435
O18W Na13 O9W 92.6(3) . 1_435
O13C Na13 O32W 83.9(3) . .
O21W Na13 O32W 166.3(4) 1_445 .
O18W Na13 O32W 92.9(4) . .
O9W Na13 O32W 79.1(3) 1_435 .
O13C Na13 O38W 84.8(4) . .
O21W Na13 O38W 66.9(5) 1_445 .
O18W Na13 O38W 97.4(4) . .
O9W Na13 O38W 151.5(6) 1_435 .
O32W Na13 O38W 126.7(5) . .
O13C Na13 Na11 131.3(3) . 1_435
O21W Na13 Na11 83.6(3) 1_445 1_435
O18W Na13 Na11 47.8(2) . 1_435
O9W Na13 Na11 44.8(2) 1_435 1_435
O32W Na13 Na11 83.6(3) . 1_435
O38W Na13 Na11 138.2(3) . 1_435
Na3 Na14 Na4 131.5(3) . 1_445
Na3 Na14 O7W 98.5(3) . .
Na4 Na14 O7W 101.4(3) 1_445 .
Na3 Na14 O13 81.3(2) . .
Na4 Na14 O13 118.8(3) 1_445 .
O7W Na14 O13 126.2(3) . .
Na3 Na14 Na1 135.3(3) . .
Na4 Na14 Na1 76.07(17) 1_445 .
O7W Na14 Na1 36.86(16) . .
O13 Na14 Na1 119.2(2) . .
Na2 Na15 Na5 94.0(3) . .
Na2 Na15 O26W 107.8(3) . .
Na5 Na15 O26W 89.8(3) . .
Na2 Na15 O16 117.0(3) . .
Na5 Na15 O16 124.0(3) . .
O26W Na15 O16 118.9(3) . .
Na7 Na16 O12 68.8(2) 2_667 .
Na7 Na16 O13B 131.3(3) 2_667 1_445
O12 Na16 O13B 110.0(3) . 1_445
Na7 Na16 C16 59.6(2) 2_667 .
O12 Na16 C16 87.8(3) . .
O13B Na16 C16 161.3(3) 1_445 .
O13B Na17 O8W 105.7(3) 2_777 2_677
C9 N1 C10 111.6(7) . .
C9 N1 C8 110.1(6) . .
C10 N1 C8 110.6(6) . .
C9 N1 Dy1 108.8(5) . .
C10 N1 Dy1 110.5(5) . .
C8 N1 Dy1 105.0(4) . .
C15 N2 C13 111.7(7) . .
C15 N2 C14 108.7(7) . .
C13 N2 C14 109.9(7) . .
C15 N2 Dy2 104.9(5) . .
C13 N2 Dy2 114.8(5) . .
C14 N2 Dy2 106.5(5) . .
C26 N3 C27 108.6(6) . .
C26 N3 C25 107.7(6) . .
C27 N3 C25 111.9(6) . .
C26 N3 Dy1 105.8(4) . .
C27 N3 Dy1 107.1(4) . .
C25 N3 Dy1 115.4(4) . .
C31 N4 C32 111.5(7) . .
C31 N4 C30 108.0(7) . .
C32 N4 C30 110.2(6) . .
C31 N4 Dy2 108.7(5) . .
C32 N4 Dy2 113.8(5) . .
C30 N4 Dy2 104.3(5) . .
C11A N1A C9A 109.4(7) . .
C11A N1A C8A 112.7(6) . .
C9A N1A C8A 106.1(7) . .
C11A N1A Dy3 107.5(5) . .
C9A N1A Dy3 105.7(5) . .
C8A N1A Dy3 115.1(5) . .
C16A N2A C14A 110.5(7) . .
C16A N2A C13A 106.8(6) . .
C14A N2A C13A 111.0(6) . .
C16A N2A Dy4 109.7(5) . .
C14A N2A Dy4 113.0(5) . .
C13A N2A Dy4 105.6(5) . .
C31A N21A C29A 111.5(6) . .
C31A N21A C28A 111.0(6) . .
C29A N21A C28A 109.5(6) . .
C31A N21A Dy3 110.7(5) . .
C29A N21A Dy3 109.1(4) . .
C28A N21A Dy3 104.8(4) . .
C34A N22A C36A 109.2(6) . .
C34A N22A C33A 108.8(7) . .
C36A N22A C33A 111.6(6) . .
C34A N22A Dy4 106.1(5) . .
C36A N22A Dy4 106.5(5) . .
C33A N22A Dy4 114.4(5) . .
C9B N1B C8B 107.4(7) . .
C9B N1B C11B 109.2(6) . .
C8B N1B C11B 111.2(6) . .
C9B N1B Dy5 106.2(5) . .
C8B N1B Dy5 115.5(5) . .
C11B N1B Dy5 107.2(5) . .
C16B N2B C14B 113.6(6) . .
C16B N2B C13B 110.9(6) . .
C14B N2B C13B 106.9(6) . .
C16B N2B Dy6 110.3(5) . .
C14B N2B Dy6 107.9(5) . .
C13B N2B Dy6 106.9(5) . .
C31B N21B C29B 111.1(6) . .
C31B N21B C28B 111.2(6) . .
C29B N21B C28B 108.5(6) . .
C31B N21B Dy5 110.3(5) . .
C29B N21B Dy5 108.7(5) . .
C28B N21B Dy5 106.8(5) . .
C36B N22B C33B 112.8(6) . .
C36B N22B C34B 108.6(6) . .
C33B N22B C34B 106.9(6) . .
C36B N22B Dy6 107.5(4) . .
C33B N22B Dy6 115.0(5) . .
C34B N22B Dy6 105.7(4) . .
C11C N1C C9C 110.3(7) . .
C11C N1C C8C 109.3(7) . .
C9C N1C C8C 110.4(7) . .
C11C N1C Dy8 109.2(5) . .
C9C N1C Dy8 111.7(5) . .
C8C N1C Dy8 105.9(5) . .
C14C N2C C13C 111.0(6) . .
C14C N2C C16C 109.6(6) . .
C13C N2C C16C 106.9(6) . .
C14C N2C Dy7 108.4(5) . .
C13C N2C Dy7 115.4(5) . .
C16C N2C Dy7 105.2(5) . .
C31C N21C C28C 111.9(6) . .
C31C N21C C29C 107.1(6) . .
C28C N21C C29C 108.4(6) . .
C31C N21C Dy8 106.7(5) . .
C28C N21C Dy8 115.3(5) . .
C29C N21C Dy8 107.0(5) . .
C34C N22C C36C 112.4(7) . .
C34C N22C C33C 109.0(7) . .
C36C N22C C33C 111.5(7) . .
C34C N22C Dy7 111.9(5) . .
C36C N22C Dy7 107.2(5) . .
C33C N22C Dy7 104.6(5) . .
C1 O1 Dy1 126.0(5) . .
C1 O1 Dy2 123.1(5) . .
Dy1 O1 Dy2 109.5(2) . .
C12 O4 Dy1 124.5(5) . .
C12 O5 Na1 144.7(6) . .
C11 O2 Dy1 124.9(5) . .
C16 O8 Dy2 123.8(5) . .
C16 O8 Na7 81.2(5) . 2_667
Dy2 O8 Na7 150.0(3) . 2_667
C16 O9 Na12 126.1(6) . .
C16 O9 Na7 89.9(5) . 2_667
Na12 O9 Na7 87.9(3) . 2_667
C17 O6 Dy2 118.7(5) . .
C17 O7 Na2 152.7(6) . .
C18 O10 Dy2 127.8(4) . .
C18 O10 Dy1 120.8(4) . .
Dy2 O10 Dy1 109.6(2) . .
C28 O12 Dy1 122.5(5) . .
C28 O12 Na16 105.7(5) . .
Dy1 O12 Na16 129.5(3) . .
C28 O12 Na7 75.4(5) . 2_667
Dy1 O12 Na7 152.4(3) . 2_667
Na16 O12 Na7 48.57(17) . 2_667
C28 O11 Na7 104.4(5) . 2_667
C29 O13 Dy1 120.3(5) . .
C29 O13 Na14 109.0(5) . .
Dy1 O13 Na14 126.9(2) . .
C29 O14 Na3 123.4(5) . .
C33 O15 Dy2 123.0(5) . .
C33 O16 Na15 118.6(5) . .
C34 O17 Dy2 127.0(6) . .
C1A O1A Dy4 127.7(5) . .
C1A O1A Dy3 121.0(5) . .
Dy4 O1A Dy3 109.8(2) . .
C10A O2A Dy3 122.1(7) . .
C12A O4A Dy3 121.2(5) . .
C12A O5A Na1 125.0(5) . .
C15A O6A Dy4 126.0(6) . .
C17A O8A Dy4 123.3(5) . .
C21A O11A Dy3 126.0(5) . .
C21A O11A Dy4 122.4(5) . .
Dy3 O11A Dy4 110.0(2) . .
C30A O12A Dy3 125.5(5) . .
C32A O14A Dy3 126.1(5) . .
C32A O15A Na3 146.8(6) . .
C35A O16A Dy4 121.0(6) . .
C35A O17A Na9 126.9(6) . .
C37A O18A Dy4 120.7(5) . .
C37A O18A Na6 92.7(5) . .
Dy4 O18A Na6 146.6(3) . .
C37A O19A Na8 151.6(6) . .
C37A O19A Na6 85.7(5) . .
Na8 O19A Na6 83.2(2) . .
C1B O1B Dy5 122.5(5) . .
C1B O1B Dy6 127.1(5) . .
Dy5 O1B Dy6 108.7(2) . .
C10B O2B Dy5 122.4(5) . .
C10B O3B Na11 113.8(6) . .
C12B O4B Dy5 121.9(5) . .
C12B O4B Na1 90.7(5) . 1_665
Dy5 O4B Na1 147.1(3) . 1_665
C12B O5B Na4 133.0(5) . .
C12B O5B Na1 88.2(5) . 1_665
Na4 O5B Na1 118.4(3) . 1_665
C15B O6B Dy6 123.5(5) . .
C17B O8B Dy6 125.3(5) . .
C17B O8B Na10 96.4(5) . 2_677
Dy6 O8B Na10 136.5(3) . 2_677
C17B O9B Na7 133.8(6) . .
C17B O9B Na10 88.8(5) . 2_677
Na7 O9B Na10 135.4(3) . 2_677
C21B O11B Dy5 128.2(5) . .
C21B O11B Dy6 121.0(5) . .
Dy5 O11B Dy6 109.2(2) . .
C30B O12B Dy5 124.9(5) . .
C30B O13B Na17 105.0(5) . 2_777
C30B O13B Na16 121.6(5) . 1_665
Na17 O13B Na16 133.4(3) 2_777 1_665
C32B O14B Dy5 125.9(6) . .
C35B O16B Dy6 122.7(6) . .
C35B O17B Na2 117.8(6) . .
C37B O18B Dy6 121.5(5) . .
C37B O19B Na2 137.9(5) . 2_677
C37B O19B Na10 125.1(5) . .
Na2 O19B Na10 94.6(2) 2_677 .
C1C O1C Dy8 126.8(5) . .
C1C O1C Dy7 122.4(5) . .
Dy8 O1C Dy7 109.8(2) . .
C10C O2C Dy8 124.0(6) . .
C12C O4C Dy8 124.1(7) . .
C15C O6C Dy7 122.9(5) . .
C15C O7C Na6 126.1(6) . 2_436
C17C O8C Dy7 123.2(5) . .
C17C O9C Na8 118.8(6) . .
C21C O11C Dy7 126.2(5) . .
C21C O11C Dy8 122.5(5) . .
Dy7 O11C Dy8 110.3(2) . .
C30C O12C Dy8 123.6(6) . .
C30C O13C Na13 116.4(6) . .
C32C O14C Dy8 121.7(5) . .
C32C O14C Na3 90.6(5) . 1_445
Dy8 O14C Na3 147.3(3) . 1_445
C32C O15C Na3 86.3(6) . 1_445
N22C C34C C35C 110.6(8) . .
C37C O18C Dy7 122.0(6) . .
O1 C1 C6 120.8(8) . .
O1 C1 C2 119.7(7) . .
C6 C1 C2 119.5(7) . .
C3 C2 C1 118.9(8) . .
C3 C2 C8 118.9(8) . .
C1 C2 C8 122.1(7) . .
C2 C3 C4 123.2(9) . .
C5 C4 C3 116.0(8) . .
C5 C4 C7 121.2(9) . .
C3 C4 C7 122.8(9) . .
C4 C5 C6 123.6(8) . .
C1 C6 C5 118.9(8) . .
C1 C6 C13 119.4(7) . .
C5 C6 C13 121.7(8) . .
C2 C8 N1 114.5(6) . .
N1 C10 C12 114.3(7) . .
O5 C12 O4 123.7(9) . .
O5 C12 C10 118.2(8) . .
O4 C12 C10 118.0(7) . .
N1 C9 C11 112.4(7) . .
O2 C11 O3 124.9(8) . .
O2 C11 C9 117.4(7) . .
O3 C11 C9 117.4(8) . .
C6 C13 N2 114.9(7) . .
N2 C14 C16 113.1(7) . .
O9 C16 O8 124.2(8) . .
O9 C16 C14 118.2(8) . .
O8 C16 C14 117.5(7) . .
O9 C16 Na7 63.4(5) . 2_667
O8 C16 Na7 71.8(5) . 2_667
C14 C16 Na7 148.2(6) . 2_667
O9 C16 Na16 88.1(5) . .
O8 C16 Na16 84.7(5) . .
C14 C16 Na16 101.4(6) . .
Na7 C16 Na16 47.4(2) 2_667 .
N2 C15 C17 111.1(7) . .
O7 C17 O6 124.4(8) . .
O7 C17 C15 119.2(7) . .
O6 C17 C15 116.3(7) . .
O10 C18 C19 119.9(7) . .
O10 C18 C23 119.9(6) . .
C19 C18 C23 120.2(7) . .
C18 C19 C20 118.5(7) . .
C18 C19 C25 120.4(7) . .
C20 C19 C25 120.8(7) . .
C21 C20 C19 121.9(7) . .
C22 C21 C20 118.0(7) . .
C22 C21 C24 121.2(8) . .
C20 C21 C24 120.7(8) . .
C21 C22 C23 122.0(8) . .
C22 C23 C18 119.1(7) . .
C22 C23 C30 120.5(7) . .
C18 C23 C30 120.3(7) . .
C19 C25 N3 115.9(6) . .
N3 C26 C28 110.6(6) . .
O11 C28 O12 124.9(8) . .
O11 C28 C26 119.3(7) . .
O12 C28 C26 115.8(7) . .
O11 C28 Na7 51.3(4) . 2_667
O12 C28 Na7 79.6(5) . 2_667
C26 C28 Na7 152.4(6) . 2_667
N3 C27 C29 110.0(6) . .
O14 C29 O13 123.3(7) . .
O14 C29 C27 119.3(7) . .
O13 C29 C27 117.4(7) . .
N4 C30 C23 114.0(7) . .
C33 C31 N4 112.9(7) . .
O15 C33 O16 124.1(8) . .
O15 C33 C31 119.2(7) . .
O16 C33 C31 116.7(7) . .
N4 C32 C34 113.2(7) . .
O18 C34 O17 127.2(9) . .
O18 C34 C32 116.0(8) . .
O17 C34 C32 116.6(7) . .
O1A C1A C2A 120.3(8) . .
O1A C1A C6A 120.0(7) . .
C2A C1A C6A 119.7(7) . .
C1A C2A C3A 119.6(8) . .
C1A C2A C8A 120.4(7) . .
C3A C2A C8A 119.8(7) . .
C4A C3A C2A 121.4(8) . .
C3A C4A C5A 117.8(8) . .
C3A C4A C7A 120.6(8) . .
C5A C4A C7A 121.6(9) . .
C6A C5A C4A 122.4(9) . .
C5A C6A C1A 119.0(8) . .
C5A C6A C13A 121.3(8) . .
C1A C6A C13A 119.6(7) . .
C2A C8A N1A 115.0(7) . .
N1A C9A C10A 111.0(8) . .
O3A C10A O2A 121.6(12) . .
O3A C10A C9A 122.5(10) . .
O2A C10A C9A 115.9(9) . .
N1A C11A C12A 111.9(6) . .
O5A C12A O4A 124.1(8) . .
O5A C12A C11A 119.7(7) . .
O4A C12A C11A 116.2(7) . .
C6A C13A N2A 113.8(7) . .
N2A C14A C15A 112.7(7) . .
O7A C15A O6A 126.4(9) . .
O7A C15A C14A 115.7(8) . .
O6A C15A C14A 117.8(7) . .
N2A C16A C17A 111.8(7) . .
O9A C17A O8A 123.9(8) . .
O9A C17A C16A 118.0(8) . .
O8A C17A C16A 118.1(8) . .
O11A C21A C22A 120.4(8) . .
O11A C21A C26A 119.2(7) . .
C22A C21A C26A 120.4(7) . .
C23A C22A C21A 119.8(8) . .
C23A C22A C33A 121.0(8) . .
C21A C22A C33A 119.2(7) . .
C22A C23A C24A 121.8(8) . .
C25A C24A C23A 116.1(8) . .
C25A C24A C27A 121.0(9) . .
C23A C24A C27A 122.9(8) . .
C26A C25A C24A 123.8(9) . .
C25A C26A C21A 118.1(8) . .
C25A C26A C28A 120.0(8) . .
C21A C26A C28A 121.9(7) . .
N21A C28A C26A 114.3(7) . .
N21A C29A C30A 112.7(7) . .
O13A C30A O12A 124.7(7) . .
O13A C30A C29A 118.4(7) . .
O12A C30A C29A 116.8(7) . .
N21A C31A C32A 115.3(7) . .
O15A C32A O14A 125.3(8) . .
O15A C32A C31A 118.6(7) . .
O14A C32A C31A 116.0(7) . .
N22A C33A C22A 112.7(7) . .
N22A C34A C35A 111.3(7) . .
O16A C35A O17A 121.6(9) . .
O16A C35A C34A 119.7(8) . .
O17A C35A C34A 118.6(8) . .
N22A C36A C37A 109.3(7) . .
O19A C37A O18A 122.5(8) . .
O19A C37A C36A 119.0(8) . .
O18A C37A C36A 118.5(8) . .
O19A C37A Na6 67.3(5) . .
O18A C37A Na6 59.5(4) . .
C36A C37A Na6 159.3(6) . .
O1B C1B C2B 121.2(8) . .
O1B C1B C6B 120.6(7) . .
C2B C1B C6B 118.1(7) . .
C3B C2B C1B 120.8(9) . .
C3B C2B C8B 119.8(8) . .
C1B C2B C8B 119.3(8) . .
C2B C3B C4B 122.0(9) . .
C3B C4B C5B 117.3(8) . .
C3B C4B C7B 121.5(10) . .
C5B C4B C7B 121.2(10) . .
C6B C5B C4B 122.0(9) . .
C5B C6B C1B 119.7(8) . .
C5B C6B C13B 120.0(8) . .
C1B C6B C13B 120.2(7) . .
N1B C8B C2B 113.6(7) . .
N1B C9B C10B 110.2(7) . .
O3B C10B O2B 123.5(8) . .
O3B C10B C9B 119.3(8) . .
O2B C10B C9B 117.2(7) . .
N1B C11B C12B 108.2(6) . .
O5B C12B O4B 123.5(8) . .
O5B C12B C11B 118.1(7) . .
O4B C12B C11B 118.4(7) . .
O5B C12B Na1 64.7(5) . 1_665
O4B C12B Na1 61.6(4) . 1_665
C11B C12B Na1 161.4(6) . 1_665
C6B C13B N2B 112.1(7) . .
N2B C14B C15B 111.6(7) . .
O7B C15B O6B 125.5(8) . .
O7B C15B C14B 118.3(8) . .
O6B C15B C14B 116.1(8) . .
N2B C16B C17B 113.7(7) . .
O9B C17B O8B 122.6(8) . .
O9B C17B C16B 121.3(8) . .
O8B C17B C16B 116.1(7) . .
O9B C17B Na10 65.2(5) . 2_677
O8B C17B Na10 57.4(4) . 2_677
C16B C17B Na10 173.4(6) . 2_677
O11B C21B C22B 121.4(7) . .
O11B C21B C26B 120.3(7) . .
C22B C21B C26B 118.3(7) . .
C21B C22B C23B 120.0(7) . .
C21B C22B C33B 121.1(7) . .
C23B C22B C33B 118.9(7) . .
C22B C23B C24B 122.0(7) . .
C25B C24B C23B 116.6(7) . .
C25B C24B C27B 123.2(8) . .
C23B C24B C27B 120.2(8) . .
C26B C25B C24B 123.0(8) . .
C25B C26B C21B 120.1(8) . .
C25B C26B C28B 120.2(7) . .
C21B C26B C28B 119.5(7) . .
N21B C28B C26B 113.8(7) . .
N21B C29B C30B 110.9(6) . .
O12B C30B O13B 125.0(8) . .
O12B C30B C29B 117.5(7) . .
O13B C30B C29B 117.4(7) . .
N21B C31B C32B 114.2(7) . .
O15B C32B O14B 125.1(9) . .
O15B C32B C31B 118.4(8) . .
O14B C32B C31B 116.4(8) . .
N22B C33B C22B 113.1(6) . .
N22B C34B C35B 109.4(7) . .
O17B C35B O16B 125.6(9) . .
O17B C35B C34B 118.2(8) . .
O16B C35B C34B 116.1(7) . .
O17B C35B Na2 41.3(4) . .
O16B C35B Na2 93.6(5) . .
C34B C35B Na2 137.4(6) . .
N22B C36B C37B 110.2(6) . .
O19B C37B O18B 125.5(7) . .
O19B C37B C36B 117.5(7) . .
O18B C37B C36B 116.9(7) . .
O1C C1C C6C 121.4(7) . .
O1C C1C C2C 120.5(7) . .
C6C C1C C2C 118.0(8) . .
C3C C2C C1C 119.8(8) . .
C3C C2C C8C 120.7(8) . .
C1C C2C C8C 119.5(8) . .
C4C C3C C2C 121.8(8) . .
C3C C4C C5C 118.3(8) . .
C3C C4C C7C 120.6(9) . .
C5C C4C C7C 121.1(9) . .
C4C C5C C6C 121.4(8) . .
C1C C6C C5C 120.5(8) . .
C1C C6C C13C 120.0(7) . .
C5C C6C C13C 119.2(8) . .
N1C C8C C2C 115.4(7) . .
N1C C9C C10C 112.2(7) . .
O3C C10C O2C 123.5(9) . .
O3C C10C C9C 118.0(8) . .
O2C C10C C9C 118.5(9) . .
N1C C11C C12C 111.3(7) . .
O5C C12C O4C 125.6(11) . .
O5C C12C C11C 117.1(9) . .
O4C C12C C11C 117.2(8) . .
N2C C13C C6C 115.6(7) . .
N2C C14C C15C 108.8(7) . .
O7C C15C O6C 127.3(8) . .
O7C C15C C14C 117.6(7) . .
O6C C15C C14C 115.1(7) . .
N2C C16C C17C 111.1(7) . .
O9C C17C O8C 125.4(8) . .
O9C C17C C16C 119.6(8) . .
O8C C17C C16C 114.9(7) . .
O9C C17C Na8 40.6(4) . .
O8C C17C Na8 95.9(5) . .
C16C C17C Na8 136.5(6) . .
O11C C21C C22C 120.5(8) . .
O11C C21C C26C 120.3(8) . .
C22C C21C C26C 119.1(8) . .
C21C C22C C23C 119.9(9) . .
C21C C22C C33C 121.7(8) . .
C23C C22C C33C 118.4(8) . .
C24C C23C C22C 120.6(9) . .
C25C C24C C23C 119.2(8) . .
C25C C24C C27C 120.9(10) . .
C23C C24C C27C 119.8(10) . .
C24C C25C C26C 121.1(9) . .
C21C C26C C25C 120.0(9) . .
C21C C26C C28C 121.3(8) . .
C25C C26C C28C 118.7(8) . .
C26C C28C N21C 114.4(7) . .
N21C C29C C30C 108.3(7) . .
O13C C30C O12C 125.8(8) . .
O13C C30C C29C 117.0(8) . .
O12C C30C C29C 117.1(8) . .
N21C C31C C32C 110.1(7) . .
O15C C32C O14C 124.6(9) . .
O15C C32C C31C 118.2(8) . .
O14C C32C C31C 117.2(7) . .
O15C C32C Na3 66.8(5) . 1_445
O14C C32C Na3 62.1(5) . 1_445
C31C C32C Na3 159.7(6) . 1_445
C22C C33C N22C 118.2(8) . .
C35C O16C Dy7 124.7(6) . .
O17C C35C O16C 122.4(10) . .
O17C C35C C34C 118.8(9) . .
O16C C35C C34C 118.6(8) . .
N22C C36C C37C 112.9(7) . .
O19C C37C O18C 123.2(10) . .
O19C C37C C36C 117.8(9) . .
O18C C37C C36C 119.0(9) . .
Na2 O2W Na10 89.7(2) . 2_677
Na6 O4W Na8 78.7(2) . .
Na6 O6W Na8 80.0(2) . .
Na1 O7W Na14 98.8(3) . .
Na5 O8W Na4 88.7(2) . 1_455
Na5 O8W Na17 122.4(3) . 2_677
Na4 O8W Na17 112.0(3) 1_455 2_677
Na11 O9W Na13 88.9(3) . 1_675
Na4 O12W Na5 93.9(3) . 1_655
Na5 O16W Na2 89.5(3) . .
Na13 O18W Na11 87.9(3) . 1_435
Na12 O24W Na10 96.7(4) . 1_545
Na7 O25W Na12 80.9(3) . 2_667
Na10 O28W Na12 88.0(3) . 1_565
Na12 O46W Na12 99.5(5) . 2_667
O10W C1W O10Y 111.0(10) . .
O51W C3S O51Y 120(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.301(5) .
Dy1 O2 2.321(5) .
Dy1 O4 2.338(5) .
Dy1 O10 2.343(5) .
Dy1 O12 2.349(5) .
Dy1 O13 2.379(5) .
Dy1 N3 2.520(6) .
Dy1 N1 2.560(7) .
Dy1 Dy2 3.7819(5) .
Dy2 O10 2.284(5) .
Dy2 O15 2.327(5) .
Dy2 O1 2.330(5) .
Dy2 O8 2.330(6) .
Dy2 O6 2.357(6) .
Dy2 O17 2.388(6) .
Dy2 N4 2.568(7) .
Dy2 N2 2.608(7) .
Dy3 O11A 2.279(5) .
Dy3 O12A 2.311(6) .
Dy3 O14A 2.334(5) .
Dy3 O1A 2.340(6) .
Dy3 O2A 2.349(6) .
Dy3 O4A 2.379(6) .
Dy3 N1A 2.530(6) .
Dy3 N21A 2.554(6) .
Dy3 Dy4 3.7868(6) .
Dy4 O1A 2.289(5) .
Dy4 O8A 2.340(6) .
Dy4 O16A 2.344(6) .
Dy4 O11A 2.344(5) .
Dy4 O18A 2.346(6) .
Dy4 O6A 2.375(6) .
Dy4 N2A 2.555(7) .
Dy4 N22A 2.584(6) .
Dy5 O11B 2.311(5) .
Dy5 O1B 2.323(5) .
Dy5 O14B 2.329(6) .
Dy5 O12B 2.330(5) .
Dy5 O4B 2.364(5) .
Dy5 O2B 2.374(6) .
Dy5 N21B 2.570(7) .
Dy5 N1B 2.577(7) .
Dy5 Dy6 3.7959(5) .
Dy6 O8B 2.314(5) .
Dy6 O6B 2.340(6) .
Dy6 O11B 2.344(5) .
Dy6 O1B 2.347(5) .
Dy6 O18B 2.350(5) .
Dy6 O16B 2.381(6) .
Dy6 N22B 2.546(6) .
Dy6 N2B 2.550(7) .
Dy7 O11C 2.306(5) .
Dy7 O18C 2.324(6) .
Dy7 O16C 2.336(6) .
Dy7 O1C 2.350(5) .
Dy7 O8C 2.362(6) .
Dy7 O6C 2.388(5) .
Dy7 N2C 2.526(6) .
Dy7 N22C 2.570(7) .
Dy7 Dy8 3.8101(5) .
Dy8 O1C 2.306(5) .
Dy8 O4C 2.333(6) .
Dy8 O11C 2.336(5) .
Dy8 O2C 2.352(6) .
Dy8 O12C 2.365(6) .
Dy8 O14C 2.375(6) .
Dy8 N1C 2.557(7) .
Dy8 N21C 2.570(7) .
Na1 O5 2.279(7) .
Na1 O7W 2.383(7) .
Na1 O5A 2.403(7) .
Na1 O4B 2.416(6) 1_445
Na1 O27W 2.459(8) .
Na1 O5B 2.484(7) 1_445
Na1 C12B 2.745(9) 1_445
Na1 Na14 3.926(7) .
Na1 Na4 4.096(5) 1_445
Na2 O7 2.257(7) .
Na2 O17B 2.311(7) .
Na2 O19B 2.337(7) 2_677
Na2 Na15 2.416(7) .
Na2 O2W 2.446(7) .
Na2 O16W 2.800(8) .
Na2 C35B 3.098(9) .
Na2 Na10 3.464(5) 2_677
Na2 Na5 3.562(5) .
Na3 O15A 2.290(7) .
Na3 O36W 2.334(8) .
Na3 O14 2.397(7) .
Na3 Na14 2.423(7) .
Na3 O14C 2.431(7) 1_665
Na3 O15C 2.534(8) 1_665
Na3 C32C 2.751(10) 1_665
Na4 O5B 2.284(6) .
Na4 O12W 2.316(7) .
Na4 O5W 2.317(7) .
Na4 Na14 2.446(7) 1_665
Na4 O8W 2.465(7) 1_655
Na4 Na5 3.412(5) 1_655
Na4 Na1 4.096(5) 1_665
Na5 O16W 2.225(7) .
Na5 O12W 2.354(7) 1_455
Na5 O15W 2.361(8) .
Na5 O8W 2.414(7) .
Na5 Na15 2.455(7) .
Na5 O34W 2.919(12) .
Na5 Na4 3.412(5) 1_455
Na6 O19W 2.295(8) .
Na6 O18A 2.373(7) .
Na6 O7C 2.386(7) 2_436
Na6 O6W 2.439(7) .
Na6 O4W 2.461(7) .
Na6 O19A 2.546(7) .
Na6 C37A 2.751(9) .
Na6 Na8 3.157(5) .
Na7 O9B 2.237(7) .
Na7 O11 2.332(8) 2_667
Na7 Na16 2.366(7) 2_667
Na7 O9 2.480(7) 2_667
Na7 O25W 2.497(10) .
Na7 O8 2.667(7) 2_667
Na7 C16 2.774(9) 2_667
Na7 C28 2.895(9) 2_667
Na7 O12 2.942(7) 2_667
Na7 Na12 3.340(7) 2_667
Na8 O19A 2.194(7) .
Na8 O9C 2.299(7) .
Na8 O30W 2.372(10) .
Na8 O45W 2.413(11) .
Na8 O6W 2.473(7) .
Na8 O4W 2.518(7) .
Na8 C17C 3.095(9) .
Na9 O31W 2.342(8) .
Na9 O31W 2.342(8) 2_446
Na9 O17A 2.487(6) .
Na9 O17A 2.487(6) 2_446
Na9 O35W 2.562(10) 2_446
Na9 O35W 2.562(10) .
Na10 O19B 2.375(7) .
Na10 O24W 2.384(9) 1_565
Na10 O8B 2.398(7) 2_677
Na10 O2W 2.466(8) 2_677
Na10 O28W 2.498(10) .
Na10 O9B 2.569(7) 2_677
Na10 C17B 2.830(10) 2_677
Na10 Na2 3.464(5) 2_677
Na10 Na12 3.496(7) 1_565
Na11 O22W 2.402(11) .
Na11 O9W 2.463(9) .
Na11 O3B 2.490(9) .
Na11 O17W 2.566(11) .
Na11 O18W 2.590(10) 1_675
Na11 O23W 2.731(13) .
Na11 Na13 3.492(10) 1_675
Na12 O24W 2.293(10) .
Na12 O9 2.332(8) .
Na12 O46W 2.344(14) .
Na12 O46W 2.489(13) 2_667
Na12 O28W 2.533(10) 1_545
Na12 O25W 2.649(11) 2_667
Na12 Na7 3.340(7) 2_667
Na12 Na10 3.496(7) 1_545
Na12 Na12 3.689(12) 2_667
Na13 O13C 2.393(9) .
Na13 O21W 2.409(11) 1_445
Na13 O18W 2.442(10) .
Na13 O9W 2.522(10) 1_435
Na13 O32W 2.601(13) .
Na13 O38W 2.963(16) .
Na13 Na11 3.492(10) 1_435
Na14 Na4 2.446(7) 1_445
Na14 O7W 2.776(10) .
Na14 O13 2.826(8) .
Na15 O26W 2.793(10) .
Na15 O16 2.938(9) .
Na16 Na7 2.366(7) 2_667
Na16 O12 2.803(8) .
Na16 O13B 2.810(9) 1_445
Na16 C16 3.077(11) .
Na17 O13B 2.727(9) 2_777
Na17 O8W 2.730(9) 2_677
N1 C9 1.481(10) .
N1 C10 1.484(10) .
N1 C8 1.518(10) .
N2 C15 1.462(10) .
N2 C13 1.479(11) .
N2 C14 1.487(11) .
N3 C26 1.468(9) .
N3 C27 1.482(10) .
N3 C25 1.492(9) .
N4 C31 1.475(10) .
N4 C32 1.480(10) .
N4 C30 1.518(10) .
N1A C11A 1.448(10) .
N1A C9A 1.460(10) .
N1A C8A 1.505(10) .
N2A C16A 1.485(11) .
N2A C14A 1.486(10) .
N2A C13A 1.510(10) .
N21A C31A 1.464(10) .
N21A C29A 1.489(10) .
N21A C28A 1.503(10) .
N22A C34A 1.481(10) .
N22A C36A 1.490(11) .
N22A C33A 1.498(10) .
N1B C9B 1.486(11) .
N1B C8B 1.497(10) .
N1B C11B 1.507(10) .
N2B C16B 1.436(10) .
N2B C14B 1.472(11) .
N2B C13B 1.533(10) .
N21B C31B 1.459(10) .
N21B C29B 1.468(10) .
N21B C28B 1.489(10) .
N22B C36B 1.469(10) .
N22B C33B 1.485(9) .
N22B C34B 1.497(10) .
N1C C11C 1.462(11) .
N1C C9C 1.466(11) .
N1C C8C 1.478(10) .
N2C C14C 1.456(10) .
N2C C13C 1.460(10) .
N2C C16C 1.502(10) .
N21C C31C 1.476(10) .
N21C C28C 1.484(10) .
N21C C29C 1.494(10) .
N22C C34C 1.470(12) .
N22C C36C 1.475(11) .
N22C C33C 1.515(10) .
O1 C1 1.359(9) .
O4 C12 1.293(10) .
O5 C12 1.249(10) .
O2 C11 1.255(10) .
O3 C11 1.255(10) .
O8 C16 1.279(10) .
O8 Na7 2.667(7) 2_667
O9 C16 1.248(10) .
O9 Na7 2.480(7) 2_667
O6 C17 1.294(9) .
O7 C17 1.211(10) .
O10 C18 1.368(9) .
O12 C28 1.262(10) .
O12 Na7 2.942(7) 2_667
O11 C28 1.231(9) .
O11 Na7 2.332(7) 2_667
O13 C29 1.279(9) .
O14 C29 1.247(10) .
O15 C33 1.251(10) .
O16 C33 1.272(10) .
O17 C34 1.275(11) .
O18 C34 1.239(10) .
O1A C1A 1.364(9) .
O2A C10A 1.266(13) .
O3A C10A 1.253(15) .
O4A C12A 1.277(9) .
O5A C12A 1.226(10) .
O6A C15A 1.264(11) .
O7A C15A 1.252(10) .
O8A C17A 1.274(10) .
O9A C17A 1.248(11) .
O11A C21A 1.373(9) .
O12A C30A 1.268(9) .
O13A C30A 1.240(10) .
O14A C32A 1.276(9) .
O15A C32A 1.236(9) .
O16A C35A 1.262(11) .
O17A C35A 1.268(10) .
O18A C37A 1.287(10) .
O19A C37A 1.253(11) .
O1B C1B 1.365(9) .
O2B C10B 1.284(10) .
O3B C10B 1.243(10) .
O4B C12B 1.276(10) .
O4B Na1 2.416(6) 1_665
O5B C12B 1.250(10) .
O5B Na1 2.484(7) 1_665
O6B C15B 1.272(10) .
O7B C15B 1.238(11) .
O8B C17B 1.259(10) .
O8B Na10 2.398(7) 2_677
O9B C17B 1.240(10) .
O9B Na10 2.569(7) 2_677
O11B C21B 1.362(9) .
O12B C30B 1.252(10) .
O13B C30B 1.259(9) .
O13B Na17 2.727(9) 2_777
O13B Na16 2.810(9) 1_665
O14B C32B 1.267(10) .
O15B C32B 1.223(11) .
O16B C35B 1.268(10) .
O17B C35B 1.250(10) .
O18B C37B 1.270(9) .
O19B C37B 1.242(10) .
O19B Na2 2.337(7) 2_677
O1C C1C 1.353(10) .
O2C C10C 1.263(11) .
O3C C10C 1.258(12) .
O4C C12C 1.262(11) .
O5C C12C 1.253(12) .
O6C C15C 1.259(10) .
O7C C15C 1.240(10) .
O7C Na6 2.386(7) 2_436
O8C C17C 1.273(10) .
O9C C17C 1.242(10) .
O11C C21C 1.355(10) .
O12C C30C 1.254(10) .
O13C C30C 1.232(10) .
O14C C32C 1.262(10) .
O14C Na3 2.431(7) 1_445
O15C C32C 1.245(10) .
O15C Na3 2.534(8) 1_445
C34C C35C 1.494(14) .
O17C C35C 1.257(11) .
O18C C37C 1.267(11) .
O19C C37C 1.257(12) .
C1 C6 1.394(11) .
C1 C2 1.421(11) .
C2 C3 1.402(11) .
C2 C8 1.480(11) .
C3 C4 1.403(13) .
C4 C5 1.383(13) .
C4 C7 1.490(12) .
C5 C6 1.417(11) .
C6 C13 1.475(12) .
C10 C12 1.491(13) .
C9 C11 1.513(11) .
C14 C16 1.498(12) .
C16 Na7 2.774(9) 2_667
C15 C17 1.530(12) .
C18 C19 1.383(10) .
C18 C23 1.405(10) .
C19 C20 1.412(11) .
C19 C25 1.489(11) .
C20 C21 1.397(12) .
C21 C22 1.366(11) .
C21 C24 1.523(11) .
C22 C23 1.403(10) .
C23 C30 1.524(11) .
C26 C28 1.512(11) .
C28 Na7 2.895(9) 2_667
C27 C29 1.515(11) .
C31 C33 1.473(12) .
C32 C34 1.543(13) .
C1A C2A 1.377(11) .
C1A C6A 1.410(12) .
C2A C3A 1.405(11) .
C2A C8A 1.500(12) .
C3A C4A 1.381(12) .
C4A C5A 1.387(12) .
C4A C7A 1.522(11) .
C5A C6A 1.379(11) .
C6A C13A 1.500(11) .
C9A C10A 1.513(15) .
C11A C12A 1.517(11) .
C14A C15A 1.525(13) .
C16A C17A 1.517(12) .
C21A C22A 1.381(11) .
C21A C26A 1.400(11) .
C22A C23A 1.375(11) .
C22A C33A 1.514(12) .
C23A C24A 1.412(13) .
C24A C25A 1.383(12) .
C24A C27A 1.508(12) .
C25A C26A 1.378(11) .
C26A C28A 1.507(12) .
C29A C30A 1.524(11) .
C31A C32A 1.531(12) .
C34A C35A 1.496(13) .
C36A C37A 1.501(12) .
C1B C2B 1.399(12) .
C1B C6B 1.408(12) .
C2B C3B 1.365(12) .
C2B C8B 1.505(12) .
C3B C4B 1.378(14) .
C4B C5B 1.403(13) .
C4B C7B 1.492(13) .
C5B C6B 1.372(11) .
C6B C13B 1.485(12) .
C9B C10B 1.511(12) .
C11B C12B 1.516(11) .
C12B Na1 2.745(9) 1_665
C14B C15B 1.530(11) .
C16B C17B 1.523(12) .
C17B Na10 2.830(10) 2_677
C21B C22B 1.382(11) .
C21B C26B 1.422(11) .
C22B C23B 1.403(10) .
C22B C33B 1.505(11) .
C23B C24B 1.403(11) .
C24B C25B 1.382(11) .
C24B C27B 1.501(11) .
C25B C26B 1.369(11) .
C26B C28B 1.524(11) .
C29B C30B 1.526(11) .
C31B C32B 1.526(12) .
C34B C35B 1.507(12) .
C36B C37B 1.526(10) .
C1C C6C 1.392(12) .
C1C C2C 1.426(11) .
C2C C3C 1.390(12) .
C2C C8C 1.503(11) .
C3C C4C 1.381(13) .
C4C C5C 1.389(12) .
C4C C7C 1.516(12) .
C5C C6C 1.395(11) .
C6C C13C 1.486(11) .
C9C C10C 1.535(13) .
C11C C12C 1.526(14) .
C14C C15C 1.552(12) .
C16C C17C 1.507(12) .
C21C C22C 1.387(12) .
C21C C26C 1.401(12) .
C22C C23C 1.419(13) .
C22C C33C 1.420(13) .
C23C C24C 1.388(14) .
C24C C25C 1.372(13) .
C24C C27C 1.535(13) .
C25C C26C 1.406(12) .
C26C C28C 1.482(12) .
C29C C30C 1.561(12) .
C31C C32C 1.516(12) .
C32C Na3 2.751(10) 1_445
O16C C35C 1.266(11) .
C36C C37C 1.485(13) .
O2W Na10 2.466(8) 2_677
O8W Na4 2.465(7) 1_455
O8W Na17 2.730(9) 2_677
O9W Na13 2.522(10) 1_675
O12W Na5 2.354(7) 1_655
O18W Na11 2.590(10) 1_435
O21W Na13 2.409(11) 1_665
O24W Na10 2.384(9) 1_545
O25W Na12 2.649(11) 2_667
O28W Na12 2.533(10) 1_565
O46W Na12 2.489(13) 2_667
C1W O10W 1.430(12) .
C1W O10Y 1.504(19) .
O51W C3S 1.37(3) .
O51Y C3S 1.41(4) .
