#------------------------------------------------------------------------------
#$Date: 2017-01-09 05:14:31 +0200 (Mon, 09 Jan 2017) $
#$Revision: 190104 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/10/7041072.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_7041072
loop_
_publ_author_name
'Xia, Tifeng'
'Song, Tao'
'Cui, Yuanjing'
'Yang, Yu'
'Qian, Guodong'
_publ_section_title
;
 A dye encapsulated terbium-based metal-organic framework for ratiometric
 temperature sensing.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18689
_journal_page_last               18695
_journal_paper_doi               10.1039/c6dt03674k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C48 H24 Dy2 N12 O12, 3(O)'
_chemical_formula_sum            'C48 H24 Dy2 N12 O15'
_chemical_formula_weight         1333.79
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2016-10-25
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_audit_update_record
;
2016-10-28 deposited with the CCDC.
2016-10-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.380(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.162(4)
_cell_length_b                   21.924(2)
_cell_length_c                   14.955(2)
_cell_measurement_reflns_used    9553
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      25.38
_cell_measurement_theta_min      2.33
_cell_volume                     9302(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0720
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            96312
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.035
_diffrn_reflns_theta_max         25.035
_diffrn_reflns_theta_min         1.680
_exptl_absorpt_coefficient_mu    1.638
_exptl_absorpt_correction_T_max  0.0046
_exptl_absorpt_correction_T_min  0.0002
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1147 before and 0.0856 after correction.
The Ratio of minimum to maximum transmission is 0.0435.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.952
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         8.324
_refine_diff_density_min         -4.497
_refine_diff_density_rms         0.269
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         16156
_refine_ls_number_restraints     573
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.1335
_refine_ls_R_factor_gt           0.1216
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.3500P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3292
_refine_ls_wR_factor_ref         0.3669
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13589
_reflns_number_total             16156
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt03674k2.cif
_cod_data_source_block           DyTATAB
_cod_depositor_comments          'Adding full bibliography for 7041072.cif.'
_cod_database_code               7041072
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.828
_shelx_estimated_absorpt_t_min   0.527
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C12(H12), C13(H13), C15(H15), C16(H16),
 C19(H19), C20(H20), C22(H22), C23(H23), C27(H27), C28(H28), C30(H30), C31(H31),
  C36(H36), C37(H37), C39(H39), C40(H40), C42(H42), C43(H43), C45(H45), C46(H46)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.23540(2) 0.75204(2) 0.32745(3) 0.05569(11) Uani 1 1 d . U
Dy2 Dy 0.73402(2) 0.26331(2) 0.90554(3) 0.05421(11) Uani 1 1 d . U
O1 O -0.1978(2) 1.2667(3) -0.1583(5) 0.0776(19) Uani 1 1 d . U
O2 O -0.1580(2) 1.2294(4) -0.2496(5) 0.0776(19) Uani 1 1 d . U
O3 O 0.2018(3) 0.8268(3) -0.1159(4) 0.0818(18) Uani 1 1 d . U
O4 O 0.2342(2) 0.8237(3) 0.0314(4) 0.0753(16) Uani 1 1 d . U
O5 O 0.2104(2) 0.8040(3) 0.4502(4) 0.0670(14) Uani 1 1 d . U
O6 O 0.2422(3) 0.8661(4) 0.5580(6) 0.092(2) Uani 1 1 d . U
O7 O 0.3011(2) 0.7666(3) 0.4492(5) 0.0651(15) Uani 1 1 d . U
O8 O 0.3389(2) 0.7216(4) 0.5768(5) 0.0870(18) Uani 1 1 d . U
O9 O 0.7239(3) 0.3239(4) 0.7132(6) 0.095(2) Uani 1 1 d . U
O10 O 0.6782(2) 0.3266(3) 0.8141(5) 0.0790(17) Uani 1 1 d . U
O11 O 0.71520(17) 0.1997(3) 0.7736(4) 0.0601(13) Uani 1 1 d . U
O12 O 0.7558(2) 0.1426(3) 0.7002(5) 0.0805(17) Uani 1 1 d . U
N1 N -0.0161(3) 1.1655(5) 0.1354(6) 0.095(2) Uani 1 1 d . U
N2 N 0.0740(3) 1.0287(5) 0.0148(5) 0.087(2) Uani 1 1 d . U
N3 N 0.0936(4) 1.0507(5) 0.3338(6) 0.114(3) Uani 1 1 d . U
N4 N 0.0397(3) 1.1089(5) 0.2334(6) 0.097(2) Uani 1 1 d . U
N5 N 0.0852(3) 1.0354(5) 0.1753(6) 0.084(2) Uani 1 1 d . U
N6 N 0.0281(3) 1.0943(5) 0.0706(6) 0.088(2) Uani 1 1 d . U
N7 N 0.4922(3) 0.6726(5) 0.3432(6) 0.091(2) Uani 1 1 d . U
N8 N 0.5485(3) 0.6148(5) 0.3016(6) 0.101(2) Uani 1 1 d . U
N9 N 0.6068(3) 0.5560(5) 0.2640(6) 0.107(2) Uani 1 1 d . U
N10 N 0.5900(3) 0.5409(4) 0.4101(6) 0.096(2) Uani 1 1 d . U
N11 N 0.5313(3) 0.5998(5) 0.4490(6) 0.092(2) Uani 1 1 d . U
N12 N 0.5697(4) 0.5291(5) 0.5501(6) 0.105(2) Uani 1 1 d . U
C1 C -0.1609(3) 1.2432(4) -0.1700(6) 0.0571(17) Uani 1 1 d . U
C2 C -0.1209(3) 1.2248(5) -0.0894(6) 0.0633(19) Uani 1 1 d . U
C3 C -0.0858(3) 1.1843(5) -0.1047(7) 0.075(2) Uani 1 1 d . U
H3 H -0.0871 1.1702 -0.1638 0.090 Uiso 1 1 calc R .
C4 C -0.0511(3) 1.1658(6) -0.0357(7) 0.084(3) Uani 1 1 d . U
H4 H -0.0277 1.1404 -0.0478 0.101 Uiso 1 1 calc R .
C5 C -0.0490(3) 1.1840(5) 0.0540(7) 0.072(2) Uani 1 1 d . U
C6 C -0.0821(3) 1.2258(5) 0.0709(7) 0.077(2) Uani 1 1 d . U
H6 H -0.0796 1.2412 0.1298 0.092 Uiso 1 1 calc R .
C7 C -0.1194(3) 1.2447(5) -0.0021(7) 0.069(2) Uani 1 1 d . U
H7 H -0.1428 1.2705 0.0091 0.083 Uiso 1 1 calc R .
C8 C 0.0178(3) 1.1205(5) 0.1438(7) 0.080(2) Uani 1 1 d . U
C9 C 0.0698(4) 1.0630(6) 0.2440(7) 0.093(3) Uani 1 1 d . U
C10 C 0.0620(3) 1.0521(5) 0.0936(7) 0.077(2) Uani 1 1 d . U
C11 C 0.1067(4) 0.9846(6) 0.0111(7) 0.091(2) Uani 1 1 d . U
C12 C 0.1440(4) 0.9630(6) 0.0814(7) 0.091(3) Uani 1 1 d . U
H12 H 0.1485 0.9793 0.1401 0.110 Uiso 1 1 calc R .
C13 C 0.1732(3) 0.9195(5) 0.0651(7) 0.079(2) Uani 1 1 d . U
H13 H 0.1957 0.9044 0.1146 0.094 Uiso 1 1 calc R .
C14 C 0.1718(3) 0.8953(4) -0.0226(6) 0.0690(19) Uani 1 1 d . U
C15 C 0.1380(4) 0.9175(6) -0.0916(8) 0.100(3) Uani 1 1 d . U
H15 H 0.1360 0.9025 -0.1505 0.120 Uiso 1 1 calc R .
C16 C 0.1063(4) 0.9612(6) -0.0794(7) 0.099(3) Uani 1 1 d . U
H16 H 0.0843 0.9759 -0.1301 0.119 Uiso 1 1 calc R .
C17 C 0.2056(3) 0.8477(5) -0.0329(6) 0.0678(19) Uani 1 1 d . U
C18 C 0.1251(4) 1.0054(6) 0.3597(7) 0.093(3) Uani 1 1 d . U
C19 C 0.1576(5) 1.0111(7) 0.4456(8) 0.111(3) Uani 1 1 d . U
H19 H 0.1586 1.0471 0.4788 0.134 Uiso 1 1 calc R .
C20 C 0.1874(5) 0.9649(6) 0.4803(9) 0.109(4) Uani 1 1 d . U
H20 H 0.2111 0.9717 0.5328 0.131 Uiso 1 1 calc R .
C21 C 0.1833(3) 0.9063(5) 0.4383(7) 0.076(2) Uani 1 1 d . U
C22 C 0.1507(3) 0.8986(5) 0.3568(7) 0.078(2) Uani 1 1 d . U
H22 H 0.1488 0.8617 0.3254 0.094 Uiso 1 1 calc R .
C23 C 0.1205(4) 0.9464(6) 0.3214(7) 0.091(3) Uani 1 1 d . U
H23 H 0.0962 0.9391 0.2701 0.109 Uiso 1 1 calc R .
C24 C 0.2137(3) 0.8557(5) 0.4850(6) 0.0666(18) Uani 1 1 d . U
C25 C 0.3369(3) 0.7390(3) 0.4985(6) 0.0518(15) Uani 1 1 d . U
C26 C 0.3807(3) 0.7265(5) 0.4613(6) 0.0643(19) Uani 1 1 d . U
C27 C 0.4136(3) 0.6888(6) 0.5098(7) 0.083(2) Uani 1 1 d . U
H27 H 0.4114 0.6759 0.5678 0.099 Uiso 1 1 calc R .
C28 C 0.4527(4) 0.6680(6) 0.4723(7) 0.092(3) Uani 1 1 d . U
H28 H 0.4745 0.6399 0.5034 0.111 Uiso 1 1 calc R .
C29 C 0.4559(4) 0.6920(5) 0.3882(7) 0.082(2) Uani 1 1 d . U
C30 C 0.4217(3) 0.7297(5) 0.3409(7) 0.073(2) Uani 1 1 d . U
H30 H 0.4238 0.7426 0.2827 0.087 Uiso 1 1 calc R .
C31 C 0.3841(4) 0.7498(5) 0.3748(7) 0.068(2) Uani 1 1 d . U
H31 H 0.3622 0.7774 0.3424 0.082 Uiso 1 1 calc R .
C32 C 0.5233(4) 0.6269(6) 0.3672(7) 0.083(2) Uani 1 1 d . U
C33 C 0.5625(4) 0.5567(6) 0.4676(7) 0.086(2) Uani 1 1 d . U
C34 C 0.5809(4) 0.5700(6) 0.3302(8) 0.096(2) Uani 1 1 d . U
C35 C 0.6356(4) 0.5067(6) 0.2669(8) 0.091(2) Uani 1 1 d . U
C36 C 0.6301(4) 0.4501(6) 0.3044(7) 0.090(2) Uani 1 1 d . U
H36 H 0.6052 0.4452 0.3329 0.108 Uiso 1 1 calc R .
C37 C 0.6588(4) 0.4006(6) 0.3024(8) 0.088(2) Uani 1 1 d . U
H37 H 0.6543 0.3643 0.3316 0.105 Uiso 1 1 calc R .
C38 C 0.6947(3) 0.4060(5) 0.2555(7) 0.072(2) Uani 1 1 d . U
C39 C 0.7001(4) 0.4624(5) 0.2140(8) 0.095(3) Uani 1 1 d . U
H39 H 0.7232 0.4665 0.1809 0.114 Uiso 1 1 calc R .
C40 C 0.6722(4) 0.5107(6) 0.2211(8) 0.100(3) Uani 1 1 d . U
H40 H 0.6776 0.5476 0.1947 0.120 Uiso 1 1 calc R .
C41 C 0.6007(4) 0.4868(6) 0.5937(8) 0.094(3) Uani 1 1 d . U
C42 C 0.6393(4) 0.4646(6) 0.5646(8) 0.092(3) Uani 1 1 d . U
H42 H 0.6465 0.4804 0.5118 0.111 Uiso 1 1 calc R .
C43 C 0.6670(4) 0.4196(6) 0.6131(8) 0.091(3) Uani 1 1 d . U
H43 H 0.6919 0.4042 0.5909 0.109 Uiso 1 1 calc R .
C44 C 0.6589(4) 0.3968(5) 0.6937(7) 0.075(2) Uani 1 1 d . U
C45 C 0.6215(4) 0.4192(6) 0.7224(8) 0.096(3) Uani 1 1 d . U
H45 H 0.6154 0.4041 0.7765 0.115 Uiso 1 1 calc R .
C46 C 0.5929(4) 0.4624(6) 0.6760(8) 0.098(3) Uani 1 1 d . U
H46 H 0.5676 0.4763 0.6986 0.117 Uiso 1 1 calc R .
C47 C 0.6872(4) 0.3435(5) 0.7417(8) 0.081(2) Uani 1 1 d . U
C48 C 0.7220(3) 0.1488(4) 0.7411(6) 0.070(2) Uani 1 1 d . U
O2W O 0.0184(5) 1.0698(8) -0.1796(11) 0.192(6) Uani 1 1 d . U
O1W O 0.0868(8) 1.1270(12) 0.4900(15) 0.293(10) Uani 1 1 d . U
O3W O 0.5071(5) 0.5742(9) 0.6783(12) 0.224(7) Uani 1 1 d . U
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'
Dy Dy -0.1892 4.4098 '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'
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
Dy2 Dy1 Dy2 153.910(16) 3_666 2_656
O1 Dy1 Dy2 38.24(14) 3_575 3_666
O1 Dy1 Dy2 166.63(14) 3_575 2_656
O1 Dy1 O11 69.53(19) 3_575 3_666
O1 Dy1 C1 26.2(2) 3_575 3_575
O1 Dy1 C48 83.6(2) 3_575 3_666
O2 Dy1 Dy2 87.90(19) 3_575 3_666
O2 Dy1 Dy2 117.90(19) 3_575 2_656
O2 Dy1 O1 52.1(2) 3_575 3_575
O2 Dy1 O5 82.5(2) 3_575 .
O2 Dy1 O7 153.0(3) 3_575 .
O2 Dy1 O11 104.3(2) 3_575 3_666
O2 Dy1 O12 82.8(3) 3_575 3_666
O2 Dy1 C1 26.0(3) 3_575 3_575
O2 Dy1 C48 98.2(3) 3_575 3_666
O3 Dy1 Dy2 119.48(18) 4_576 3_666
O3 Dy1 Dy2 71.24(17) 4_576 2_656
O3 Dy1 O1 97.2(2) 4_576 3_575
O3 Dy1 O2 82.3(3) 4_576 3_575
O3 Dy1 O5 80.9(2) 4_576 .
O3 Dy1 O7 99.3(2) 4_576 .
O3 Dy1 O11 154.1(2) 4_576 3_666
O3 Dy1 O12 152.8(2) 4_576 3_666
O3 Dy1 C1 91.4(2) 4_576 3_575
O3 Dy1 C48 179.2(3) 4_576 3_666
O5 Dy1 Dy2 156.15(16) . 3_666
O5 Dy1 Dy2 39.39(14) . 2_656
O5 Dy1 O1 134.1(2) . 3_575
O5 Dy1 O11 124.6(2) . 3_666
O5 Dy1 C1 108.0(2) . 3_575
O5 Dy1 C48 98.6(3) . 3_666
O7 Dy1 Dy2 40.62(17) . 2_656
O7 Dy1 Dy2 113.68(17) . 3_666
O7 Dy1 O1 151.9(2) . 3_575
O7 Dy1 O5 71.3(2) . .
O7 Dy1 O11 86.1(2) . 3_666
O7 Dy1 O12 84.3(2) . 3_666
O7 Dy1 C1 169.0(2) . 3_575
O7 Dy1 C48 80.0(2) . 3_666
O9 Dy1 Dy2 55.1(2) 3_666 3_666
O9 Dy1 Dy2 108.6(2) 3_666 2_656
O9 Dy1 O1 75.0(3) 3_666 3_575
O9 Dy1 O2 121.0(3) 3_666 3_575
O9 Dy1 O3 80.4(3) 3_666 4_576
O9 Dy1 O5 147.3(3) 3_666 .
O9 Dy1 O7 85.5(3) 3_666 .
O9 Dy1 O11 74.7(3) 3_666 3_666
O9 Dy1 O12 126.8(3) 3_666 3_666
O9 Dy1 C1 99.1(3) 3_666 3_575
O9 Dy1 C48 99.9(3) 3_666 3_666
O11 Dy1 Dy2 37.73(13) 3_666 3_666
O11 Dy1 Dy2 123.75(13) 3_666 2_656
O11 Dy1 C1 85.5(2) 3_666 3_575
O11 Dy1 C48 26.4(2) 3_666 3_666
O12 Dy1 Dy2 82.45(16) 3_666 3_666
O12 Dy1 Dy2 96.24(17) 3_666 2_656
O12 Dy1 O1 91.3(2) 3_666 3_575
O12 Dy1 O5 74.7(2) 3_666 .
O12 Dy1 O11 52.6(2) 3_666 3_666
O12 Dy1 C1 85.0(2) 3_666 3_575
O12 Dy1 C48 27.0(3) 3_666 3_666
C1 Dy1 Dy2 62.4(2) 3_575 3_666
C1 Dy1 Dy2 143.7(2) 3_575 2_656
C48 Dy1 Dy2 108.0(2) 3_666 2_656
C48 Dy1 Dy2 61.2(2) 3_666 3_666
C48 Dy1 C1 89.3(3) 3_666 3_575
Dy1 Dy2 Dy1 152.479(16) 3_666 2_646
O1 Dy2 Dy1 41.10(18) 1_646 3_666
O1 Dy2 Dy1 113.36(18) 1_646 2_646
O1 Dy2 O5 84.4(2) 1_646 2_646
O1 Dy2 O7 148.5(2) 1_646 2_646
O1 Dy2 C24 79.7(3) 1_646 2_646
O1 Dy2 C25 168.3(2) 1_646 2_646
O4 Dy2 Dy1 62.51(17) 3_666 2_646
O4 Dy2 Dy1 98.55(17) 3_666 3_666
O4 Dy2 O1 83.9(2) 3_666 1_646
O4 Dy2 O5 79.7(2) 3_666 2_646
O4 Dy2 O6 129.9(2) 3_666 2_646
O4 Dy2 O7 82.9(2) 3_666 2_646
O4 Dy2 O8 85.4(3) 3_666 2_646
O4 Dy2 O10 157.5(3) 3_666 .
O4 Dy2 O11 81.0(2) 3_666 .
O4 Dy2 C24 104.6(3) 3_666 2_646
O4 Dy2 C25 84.6(2) 3_666 2_646
O5 Dy2 Dy1 124.73(14) 2_646 3_666
O5 Dy2 Dy1 37.04(14) 2_646 2_646
O5 Dy2 O7 65.12(19) 2_646 2_646
O5 Dy2 C24 26.1(2) 2_646 2_646
O5 Dy2 C25 91.9(2) 2_646 2_646
O6 Dy2 Dy1 100.1(2) 2_646 3_666
O6 Dy2 Dy1 80.8(2) 2_646 2_646
O6 Dy2 O1 80.7(3) 2_646 1_646
O6 Dy2 O5 51.6(2) 2_646 2_646
O6 Dy2 O7 86.1(3) 2_646 2_646
O6 Dy2 C24 25.6(3) 2_646 2_646
O6 Dy2 C25 105.7(3) 2_646 2_646
O7 Dy2 Dy1 35.73(13) 2_646 2_646
O7 Dy2 Dy1 170.16(13) 2_646 3_666
O7 Dy2 C24 76.1(2) 2_646 2_646
O7 Dy2 C25 26.9(2) 2_646 2_646
O8 Dy2 Dy1 81.99(16) 2_646 2_646
O8 Dy2 Dy1 118.11(16) 2_646 3_666
O8 Dy2 O1 154.0(2) 2_646 1_646
O8 Dy2 O5 116.8(2) 2_646 2_646
O8 Dy2 O6 123.8(3) 2_646 2_646
O8 Dy2 O7 52.2(2) 2_646 2_646
O8 Dy2 C24 126.0(2) 2_646 2_646
O8 Dy2 C25 25.3(2) 2_646 2_646
O10 Dy2 Dy1 78.16(19) . 3_666
O10 Dy2 Dy1 127.14(18) . 2_646
O10 Dy2 O1 106.2(3) . 1_646
O10 Dy2 O5 120.8(2) . 2_646
O10 Dy2 O6 72.4(2) . 2_646
O10 Dy2 O7 96.7(2) . 2_646
O10 Dy2 O8 76.9(3) . 2_646
O10 Dy2 O11 82.3(2) . .
O10 Dy2 C24 97.1(3) . 2_646
O10 Dy2 C25 85.2(3) . 2_646
O11 Dy2 Dy1 41.00(14) . 3_666
O11 Dy2 Dy1 140.29(14) . 2_646
O11 Dy2 O1 75.0(2) . 1_646
O11 Dy2 O5 152.99(19) . 2_646
O11 Dy2 O6 138.1(3) . 2_646
O11 Dy2 O7 130.47(19) . 2_646
O11 Dy2 O8 80.0(2) . 2_646
O11 Dy2 C24 153.4(2) . 2_646
O11 Dy2 C25 104.8(2) . 2_646
C24 Dy2 Dy1 112.63(18) 2_646 3_666
C24 Dy2 Dy1 59.05(19) 2_646 2_646
C24 Dy2 C25 101.7(2) 2_646 2_646
C25 Dy2 Dy1 143.31(17) 2_646 3_666
C25 Dy2 Dy1 59.21(17) 2_646 2_646
Dy2 O1 Dy1 100.7(2) 1_464 3_575
C1 O1 Dy1 89.0(6) . 3_575
C1 O1 Dy2 150.4(6) . 1_464
C1 O2 Dy1 99.4(6) . 3_575
C17 O3 Dy1 132.9(6) . 4_575
C17 O4 Dy2 146.3(7) . 3_666
Dy1 O5 Dy2 103.6(2) . 2_656
C24 O5 Dy1 138.0(6) . .
C24 O5 Dy2 89.6(5) . 2_656
C24 O6 Dy2 97.4(7) . 2_656
Dy1 O7 Dy2 103.6(2) . 2_656
C25 O7 Dy1 142.5(5) . .
C25 O7 Dy2 86.2(5) . 2_656
C25 O8 Dy2 98.2(5) . 2_656
C47 O9 Dy1 150.0(8) . 3_666
C47 O10 Dy2 115.8(7) . .
Dy2 O11 Dy1 101.3(2) . 3_666
C48 O11 Dy1 88.8(5) . 3_666
C48 O11 Dy2 145.1(6) . .
C48 O12 Dy1 96.1(6) . 3_666
C8 N1 C5 127.4(9) . .
C11 N2 C10 127.2(8) . .
C18 N3 C9 125.2(10) . .
C9 N4 C8 113.9(9) . .
C10 N5 C9 113.2(9) . .
C8 N6 C10 112.4(8) . .
C32 N7 C29 128.2(9) . .
C34 N8 C32 111.1(9) . .
C35 N9 C34 125.3(10) . .
C34 N10 C33 115.2(9) . .
C33 N11 C32 119.1(9) . .
C33 N12 C41 134.1(10) . .
O1 C1 Dy1 64.8(5) . 3_575
O1 C1 O2 119.0(8) . .
O1 C1 C2 121.9(9) . .
O2 C1 Dy1 54.6(4) . 3_575
O2 C1 C2 118.7(8) . .
C2 C1 Dy1 166.6(6) . 3_575
C3 C2 C1 119.3(8) . .
C7 C2 C1 121.3(8) . .
C7 C2 C3 119.4(8) . .
C2 C3 H3 119.5 . .
C4 C3 C2 121.1(9) . .
C4 C3 H3 119.5 . .
C3 C4 H4 119.5 . .
C3 C4 C5 121.1(9) . .
C5 C4 H4 119.5 . .
C4 C5 N1 127.9(9) . .
C4 C5 C6 119.1(8) . .
C6 C5 N1 112.9(9) . .
C5 C6 H6 120.2 . .
C5 C6 C7 119.5(9) . .
C7 C6 H6 120.2 . .
C2 C7 C6 119.5(8) . .
C2 C7 H7 120.2 . .
C6 C7 H7 120.2 . .
N4 C8 N1 112.5(9) . .
N6 C8 N1 121.8(9) . .
N6 C8 N4 125.6(9) . .
N4 C9 N3 115.7(10) . .
N4 C9 N5 125.3(10) . .
N5 C9 N3 117.8(10) . .
N5 C10 N2 120.6(9) . .
N5 C10 N6 128.8(9) . .
N6 C10 N2 110.5(8) . .
N2 C11 C12 129.3(9) . .
N2 C11 C16 115.7(9) . .
C12 C11 C16 114.6(9) . .
C11 C12 H12 119.4 . .
C13 C12 C11 121.2(9) . .
C13 C12 H12 119.4 . .
C12 C13 H13 118.1 . .
C12 C13 C14 123.8(9) . .
C14 C13 H13 118.1 . .
C13 C14 C17 119.4(8) . .
C15 C14 C13 116.0(9) . .
C15 C14 C17 124.6(9) . .
C14 C15 H15 118.4 . .
C14 C15 C16 123.3(10) . .
C16 C15 H15 118.4 . .
C11 C16 H16 119.6 . .
C15 C16 C11 120.8(10) . .
C15 C16 H16 119.6 . .
O3 C17 C14 116.0(8) . .
O4 C17 O3 119.1(9) . .
O4 C17 C14 124.7(8) . .
N3 C18 C19 117.7(11) . .
N3 C18 C23 124.4(10) . .
C23 C18 C19 115.6(11) . .
C18 C19 H19 119.5 . .
C20 C19 C18 121.1(12) . .
C20 C19 H19 119.5 . .
C19 C20 H20 119.2 . .
C19 C20 C21 121.6(11) . .
C21 C20 H20 119.2 . .
C20 C21 C24 119.0(9) . .
C22 C21 C20 118.3(10) . .
C22 C21 C24 122.7(10) . .
C21 C22 H22 120.3 . .
C21 C22 C23 119.5(11) . .
C23 C22 H22 120.3 . .
C18 C23 H23 118.5 . .
C22 C23 C18 123.0(10) . .
C22 C23 H23 118.5 . .
O5 C24 Dy2 64.3(5) . 2_656
O5 C24 C21 120.2(8) . .
O6 C24 Dy2 56.9(6) . 2_656
O6 C24 O5 120.7(9) . .
O6 C24 C21 119.1(9) . .
C21 C24 Dy2 172.2(7) . 2_656
O7 C25 Dy2 66.9(5) . 2_656
O7 C25 C26 120.9(8) . .
O8 C25 Dy2 56.6(5) . 2_656
O8 C25 O7 123.3(8) . .
O8 C25 C26 115.8(7) . .
C26 C25 Dy2 171.0(6) . 2_656
C27 C26 C25 117.8(8) . .
C27 C26 C31 121.5(9) . .
C31 C26 C25 120.6(8) . .
C26 C27 H27 119.7 . .
C26 C27 C28 120.7(10) . .
C28 C27 H27 119.7 . .
C27 C28 H28 121.5 . .
C29 C28 C27 117.1(10) . .
C29 C28 H28 121.5 . .
C28 C29 N7 121.5(9) . .
C30 C29 N7 117.8(9) . .
C30 C29 C28 120.3(10) . .
C29 C30 H30 118.2 . .
C29 C30 C31 123.5(10) . .
C31 C30 H30 118.2 . .
C26 C31 H31 121.7 . .
C30 C31 C26 116.7(9) . .
C30 C31 H31 121.7 . .
N7 C32 N8 113.0(9) . .
N11 C32 N7 122.8(9) . .
N11 C32 N8 124.0(10) . .
N11 C33 N10 122.8(10) . .
N11 C33 N12 118.5(10) . .
N12 C33 N10 118.6(10) . .
N8 C34 N9 112.5(9) . .
N10 C34 N8 127.5(9) . .
N10 C34 N9 120.0(10) . .
N9 C35 C36 126.3(10) . .
N9 C35 C40 118.1(11) . .
C36 C35 C40 115.3(11) . .
C35 C36 H36 117.7 . .
C37 C36 C35 124.6(10) . .
C37 C36 H36 117.7 . .
C36 C37 H37 120.8 . .
C36 C37 C38 118.5(11) . .
C38 C37 H37 120.8 . .
C37 C38 C39 118.0(10) . .
C37 C38 C48 119.6(10) . 4_565
C39 C38 C48 121.9(9) . 4_565
C38 C39 H39 119.3 . .
C40 C39 C38 121.5(10) . .
C40 C39 H39 119.3 . .
C35 C40 H40 119.0 . .
C39 C40 C35 122.0(12) . .
C39 C40 H40 119.0 . .
N12 C41 C42 126.1(11) . .
N12 C41 C46 117.2(11) . .
C42 C41 C46 116.7(11) . .
C41 C42 H42 119.7 . .
C43 C42 C41 120.6(12) . .
C43 C42 H42 119.7 . .
C42 C43 H43 119.2 . .
C42 C43 C44 121.7(11) . .
C44 C43 H43 119.2 . .
C43 C44 C47 120.8(10) . .
C45 C44 C43 117.3(10) . .
C45 C44 C47 121.5(11) . .
C44 C45 H45 118.5 . .
C46 C45 C44 122.9(12) . .
C46 C45 H45 118.5 . .
C41 C46 H46 119.6 . .
C45 C46 C41 120.8(12) . .
C45 C46 H46 119.6 . .
O9 C47 C44 119.6(10) . .
O10 C47 O9 123.0(10) . .
O10 C47 C44 116.6(10) . .
O11 C48 Dy1 64.8(5) . 3_666
O11 C48 O12 119.2(9) . .
O11 C48 C38 121.9(8) . 4_566
O12 C48 Dy1 56.9(5) . 3_666
O12 C48 C38 118.7(9) . 4_566
C38 C48 Dy1 167.4(7) 4_566 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 Dy2 3.8063(8) 3_666
Dy1 Dy2 3.8928(8) 2_656
Dy1 O1 2.546(8) 3_575
Dy1 O2 2.324(7) 3_575
Dy1 O3 2.249(7) 4_576
Dy1 O5 2.412(6) .
Dy1 O7 2.340(6) .
Dy1 O9 2.210(8) 3_666
Dy1 O11 2.546(6) 3_666
Dy1 O12 2.370(7) 3_666
Dy1 C1 2.813(9) 3_575
Dy1 C48 2.812(10) 3_666
Dy2 Dy1 3.8064(8) 3_666
Dy2 Dy1 3.8928(8) 2_646
Dy2 O1 2.397(7) 1_646
Dy2 O4 2.233(7) 3_666
Dy2 O5 2.541(6) 2_646
Dy2 O6 2.384(8) 2_646
Dy2 O7 2.608(7) 2_646
Dy2 O8 2.384(7) 2_646
Dy2 O10 2.328(7) .
Dy2 O11 2.375(6) .
Dy2 C24 2.821(10) 2_646
Dy2 C25 2.828(9) 2_646
O1 Dy1 2.546(8) 3_575
O1 Dy2 2.397(6) 1_464
O1 C1 1.243(11) .
O2 Dy1 2.324(7) 3_575
O2 C1 1.251(12) .
O3 Dy1 2.249(7) 4_575
O3 C17 1.302(11) .
O4 Dy2 2.233(7) 3_666
O4 C17 1.235(11) .
O5 Dy2 2.541(6) 2_656
O5 C24 1.243(12) .
O6 Dy2 2.384(8) 2_656
O6 C24 1.231(11) .
O7 Dy2 2.608(7) 2_656
O7 C25 1.283(10) .
O8 Dy2 2.384(7) 2_656
O8 C25 1.221(11) .
O9 Dy1 2.210(8) 3_666
O9 C47 1.314(14) .
O10 C47 1.227(14) .
O11 Dy1 2.546(6) 3_666
O11 C48 1.250(11) .
O12 Dy1 2.370(7) 3_666
O12 C48 1.282(12) .
N1 C5 1.424(12) .
N1 C8 1.381(13) .
N2 C10 1.403(13) .
N2 C11 1.367(13) .
N3 C9 1.388(13) .
N3 C18 1.348(15) .
N4 C8 1.369(12) .
N4 C9 1.321(15) .
N5 C9 1.356(14) .
N5 C10 1.304(12) .
N6 C8 1.331(13) .
N6 C10 1.340(13) .
N7 C29 1.442(13) .
N7 C32 1.344(14) .
N8 C32 1.380(13) .
N8 C34 1.361(14) .
N9 C34 1.411(13) .
N9 C35 1.363(15) .
N10 C33 1.349(13) .
N10 C34 1.326(14) .
N11 C32 1.331(13) .
N11 C33 1.297(14) .
N12 C33 1.347(14) .
N12 C41 1.352(15) .
C1 Dy1 2.813(9) 3_575
C1 C2 1.524(12) .
C2 C3 1.412(13) .
C2 C7 1.368(14) .
C3 H3 0.9300 .
C3 C4 1.331(13) .
C4 H4 0.9300 .
C4 C5 1.387(14) .
C5 C6 1.396(13) .
C6 H6 0.9300 .
C6 C7 1.413(13) .
C7 H7 0.9300 .
C11 C12 1.409(14) .
C11 C16 1.445(14) .
C12 H12 0.9300 .
C12 C13 1.336(14) .
C13 H13 0.9300 .
C13 C14 1.406(13) .
C14 C15 1.341(14) .
C14 C17 1.470(13) .
C15 H15 0.9300 .
C15 C16 1.373(16) .
C16 H16 0.9300 .
C18 C19 1.414(15) .
C18 C23 1.408(17) .
C19 H19 0.9300 .
C19 C20 1.358(18) .
C20 H20 0.9300 .
C20 C21 1.423(17) .
C21 C22 1.371(13) .
C21 C24 1.488(14) .
C22 H22 0.9300 .
C22 C23 1.393(16) .
C23 H23 0.9300 .
C24 Dy2 2.821(10) 2_656
C25 Dy2 2.828(9) 2_656
C25 C26 1.531(13) .
C26 C27 1.345(13) .
C26 C31 1.417(14) .
C27 H27 0.9300 .
C27 C28 1.453(15) .
C28 H28 0.9300 .
C28 C29 1.388(15) .
C29 C30 1.360(14) .
C30 H30 0.9300 .
C30 C31 1.382(14) .
C31 H31 0.9300 .
C35 C36 1.387(17) .
C35 C40 1.397(16) .
C36 H36 0.9300 .
C36 C37 1.376(16) .
C37 H37 0.9300 .
C37 C38 1.393(15) .
C38 C39 1.409(15) .
C38 C48 1.483(14) 4_565
C39 H39 0.9300 .
C39 C40 1.354(16) .
C40 H40 0.9300 .
C41 C42 1.386(16) .
C41 C46 1.408(17) .
C42 H42 0.9300 .
C42 C43 1.371(16) .
C43 H43 0.9300 .
C43 C44 1.376(16) .
C44 C45 1.353(16) .
C44 C47 1.512(15) .
C45 H45 0.9300 .
C45 C46 1.343(17) .
C46 H46 0.9300 .
C48 Dy1 2.812(10) 3_666
C48 C38 1.484(14) 4_566
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Dy1 O1 C1 O2 6.7(8) 3_575 .
Dy1 O1 C1 C2 -166.8(7) 3_575 .
Dy1 O2 C1 O1 -7.5(9) 3_575 .
Dy1 O2 C1 C2 166.3(6) 3_575 .
Dy1 O3 C17 O4 3.7(14) 4_575 .
Dy1 O3 C17 C14 -170.8(7) 4_575 .
Dy1 O5 C24 Dy2 -110.0(7) . 2_656
Dy1 O5 C24 O6 -102.1(11) . .
Dy1 O5 C24 C21 77.2(11) . .
Dy1 O7 C25 Dy2 -107.5(9) . 2_656
Dy1 O7 C25 O8 -103.3(11) . .
Dy1 O7 C25 C26 77.6(11) . .
Dy1 O9 C47 O10 59(2) 3_666 .
Dy1 O9 C47 C44 -132.2(13) 3_666 .
Dy1 O11 C48 O12 17.7(8) 3_666 .
Dy1 O11 C48 C38 -167.8(8) 3_666 4_566
Dy1 O12 C48 O11 -19.2(9) 3_666 .
Dy1 O12 C48 C38 166.2(7) 3_666 4_566
Dy1 C1 C2 C3 46(3) 3_575 .
Dy1 C1 C2 C7 -131(2) 3_575 .
Dy2 O1 C1 Dy1 110.0(12) 1_464 3_575
Dy2 O1 C1 O2 116.7(13) 1_464 .
Dy2 O1 C1 C2 -56.8(16) 1_464 .
Dy2 O4 C17 O3 -40.7(16) 3_666 .
Dy2 O4 C17 C14 133.3(10) 3_666 .
Dy2 O5 C24 O6 7.9(9) 2_656 .
Dy2 O5 C24 C21 -172.7(8) 2_656 .
Dy2 O6 C24 O5 -8.5(10) 2_656 .
Dy2 O6 C24 C21 172.1(7) 2_656 .
Dy2 O7 C25 O8 4.2(8) 2_656 .
Dy2 O7 C25 C26 -174.9(7) 2_656 .
Dy2 O8 C25 O7 -4.6(9) 2_656 .
Dy2 O8 C25 C26 174.5(6) 2_656 .
Dy2 O10 C47 O9 5.0(14) . .
Dy2 O10 C47 C44 -164.4(7) . .
Dy2 O11 C48 Dy1 -108.1(9) . 3_666
Dy2 O11 C48 O12 -90.4(12) . .
Dy2 O11 C48 C38 84.1(13) . 4_566
O1 C1 C2 C3 163.1(9) . .
O1 C1 C2 C7 -14.2(14) . .
O2 C1 C2 C3 -10.5(13) . .
O2 C1 C2 C7 172.3(9) . .
O7 C25 C26 C27 -169.2(9) . .
O7 C25 C26 C31 5.4(13) . .
O8 C25 C26 C27 11.6(13) . .
O8 C25 C26 C31 -173.8(9) . .
N1 C5 C6 C7 -174.9(10) . .
N2 C11 C12 C13 -179.3(13) . .
N2 C11 C16 C15 178.9(13) . .
N3 C18 C19 C20 173.7(15) . .
N3 C18 C23 C22 -172.2(12) . .
N7 C29 C30 C31 177.6(10) . .
N9 C35 C36 C37 177.0(12) . .
N9 C35 C40 C39 -174.5(12) . .
N12 C41 C42 C43 -177.2(13) . .
N12 C41 C46 C45 178.6(13) . .
C1 C2 C3 C4 -178.2(10) . .
C1 C2 C7 C6 179.0(9) . .
C2 C3 C4 C5 2.4(18) . .
C3 C2 C7 C6 1.8(16) . .
C3 C4 C5 N1 175.8(12) . .
C3 C4 C5 C6 -4.8(18) . .
C4 C5 C6 C7 5.6(17) . .
C5 N1 C8 N4 -172.3(11) . .
C5 N1 C8 N6 10.0(19) . .
C5 C6 C7 C2 -4.1(17) . .
C7 C2 C3 C4 -0.9(16) . .
C8 N1 C5 C4 -7(2) . .
C8 N1 C5 C6 173.1(11) . .
C8 N4 C9 N3 178.5(12) . .
C8 N4 C9 N5 11.1(19) . .
C8 N6 C10 N2 -176.0(10) . .
C8 N6 C10 N5 -0.9(18) . .
C9 N3 C18 C19 158.6(14) . .
C9 N3 C18 C23 -39(2) . .
C9 N4 C8 N1 175.2(11) . .
C9 N4 C8 N6 -7.2(18) . .
C9 N5 C10 N2 178.9(11) . .
C9 N5 C10 N6 4.2(18) . .
C10 N2 C11 C12 -18(2) . .
C10 N2 C11 C16 169.5(12) . .
C10 N5 C9 N3 -176.9(12) . .
C10 N5 C9 N4 -9.8(19) . .
C10 N6 C8 N1 179.8(11) . .
C10 N6 C8 N4 2.4(17) . .
C11 N2 C10 N5 5.3(19) . .
C11 N2 C10 N6 -179.2(11) . .
C11 C12 C13 C14 5(2) . .
C12 C11 C16 C15 5(2) . .
C12 C13 C14 C15 -1.6(18) . .
C12 C13 C14 C17 179.8(11) . .
C13 C14 C15 C16 0.1(19) . .
C13 C14 C17 O3 179.0(9) . .
C13 C14 C17 O4 4.8(16) . .
C14 C15 C16 C11 -2(2) . .
C15 C14 C17 O3 0.4(16) . .
C15 C14 C17 O4 -173.8(11) . .
C16 C11 C12 C13 -6.7(19) . .
C17 C14 C15 C16 178.7(12) . .
C18 N3 C9 N4 178.8(14) . .
C18 N3 C9 N5 -13(2) . .
C18 C19 C20 C21 -8(2) . .
C19 C18 C23 C22 -10(2) . .
C19 C20 C21 C22 5(2) . .
C19 C20 C21 C24 -173.6(13) . .
C20 C21 C22 C23 -4.8(17) . .
C20 C21 C24 O5 179.3(11) . .
C20 C21 C24 O6 -1.3(16) . .
C21 C22 C23 C18 7.6(19) . .
C22 C21 C24 O5 0.4(15) . .
C22 C21 C24 O6 179.8(10) . .
C23 C18 C19 C20 10(2) . .
C24 C21 C22 C23 174.1(10) . .
C25 C26 C27 C28 171.1(10) . .
C25 C26 C31 C30 -171.5(9) . .
C26 C27 C28 C29 4.3(18) . .
C27 C26 C31 C30 2.9(16) . .
C27 C28 C29 N7 -177.4(11) . .
C27 C28 C29 C30 -4.8(18) . .
C28 C29 C30 C31 4.7(18) . .
C29 N7 C32 N8 170.8(11) . .
C29 N7 C32 N11 -14.2(19) . .
C29 C30 C31 C26 -3.5(16) . .
C31 C26 C27 C28 -3.5(17) . .
C32 N7 C29 C28 7.7(19) . .
C32 N7 C29 C30 -165.2(11) . .
C32 N8 C34 N9 179.2(11) . .
C32 N8 C34 N10 -1.8(19) . .
C32 N11 C33 N10 5.2(18) . .
C32 N11 C33 N12 -178.9(12) . .
C33 N10 C34 N8 2.5(19) . .
C33 N10 C34 N9 -178.5(11) . .
C33 N11 C32 N7 -178.8(12) . .
C33 N11 C32 N8 -4.4(19) . .
C33 N12 C41 C42 8(3) . .
C33 N12 C41 C46 -171.2(14) . .
C34 N8 C32 N7 177.5(11) . .
C34 N8 C32 N11 2.6(17) . .
C34 N9 C35 C36 31(2) . .
C34 N9 C35 C40 -154.8(12) . .
C34 N10 C33 N11 -4.2(18) . .
C34 N10 C33 N12 180.0(12) . .
C35 N9 C34 N8 -168.3(12) . .
C35 N9 C34 N10 12.5(19) . .
C35 C36 C37 C38 -3.4(18) . .
C36 C35 C40 C39 0.1(18) . .
C36 C37 C38 C39 1.0(16) . .
C36 C37 C38 C48 -171.6(10) . 4_565
C37 C38 C39 C40 1.9(17) . .
C38 C39 C40 C35 -2(2) . .
C40 C35 C36 C37 2.9(18) . .
C41 N12 C33 N10 1(2) . .
C41 N12 C33 N11 -174.6(14) . .
C41 C42 C43 C44 -3(2) . .
C42 C41 C46 C45 -1(2) . .
C42 C43 C44 C45 1.8(18) . .
C42 C43 C44 C47 174.7(11) . .
C43 C44 C45 C46 -0.4(19) . .
C43 C44 C47 O9 9.0(16) . .
C43 C44 C47 O10 178.8(10) . .
C44 C45 C46 C41 0(2) . .
C45 C44 C47 O9 -178.4(11) . .
C45 C44 C47 O10 -8.6(16) . .
C46 C41 C42 C43 2(2) . .
C47 C44 C45 C46 -173.2(12) . .
C48 C38 C39 C40 174.2(11) 4_565 .
