#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:16:36 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179961 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/55/7025566.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_7025566
loop_
_publ_author_name
'Norton, Kieran'
'Banerjee, Santanu'
'Das, Sayantani'
'Huebner, Louise'
'Emge, Thomas J.'
'Brennan, John G.'
_publ_section_title
;
 Lanthanide oxochalcogenido clusters.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6794
_journal_page_last               6800
_journal_paper_doi               10.1039/c001812k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C128 H144 Nd8 O10 S1.7 Se16.3, 4(C4 H8 O)'
_chemical_formula_sum            'C144 H176 Nd8 O14 S1.7 Se16.3'
_chemical_formula_weight         4626.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.345(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.5991(12)
_cell_length_b                   20.7335(14)
_cell_length_c                   21.9371(15)
_cell_measurement_reflns_used    8249
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.50
_cell_measurement_theta_min      2.24
_cell_volume                     7819.6(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      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            76757
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    6.475
_exptl_absorpt_correction_T_max  0.5104
_exptl_absorpt_correction_T_min  0.3174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             4427
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.151
_refine_diff_density_min         -1.718
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         23709
_refine_ls_number_restraints     1571
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0430P)²+23.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                19084
_reflns_number_total             23709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c001812k.txt
_cod_data_source_block           nd8o2s2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7025566
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.179517(13) 0.946428(10) 1.080738(10) 0.02139(5) Uani 1 1 d U . .
Nd2 Nd -0.013895(13) 0.856667(10) 1.089460(10) 0.01896(5) Uani 1 1 d U . .
Nd3 Nd 0.020024(13) 0.923947(10) 0.934855(10) 0.01891(5) Uani 1 1 d U . .
Nd4 Nd 0.233550(13) 1.047610(10) 0.921825(11) 0.02223(5) Uani 1 1 d U . .
Se1 Se 0.19853(2) 0.909020(19) 0.95177(2) 0.02410(9) Uani 1 1 d U A .
Se2 Se 0.32595(2) 1.01212(2) 1.04719(2) 0.02653(9) Uani 1 1 d U A .
Se3 Se 0.13178(3) 0.87682(2) 1.18885(2) 0.03077(10) Uani 1 1 d U A .
Se4 Se -0.18338(2) 0.814343(19) 1.066284(19) 0.02245(8) Uani 1 1 d U . .
Se5 Se -0.00014(3) 0.787052(19) 0.97284(2) 0.02422(9) Uani 1 1 d U . .
Se6 Se -0.14854(3) 0.93130(2) 0.86267(2) 0.02522(9) Uani 1 1 d U . .
Se7 Se 0.07080(3) 1.037631(19) 0.836420(19) 0.02291(8) Uani 1 1 d U . .
Se8 Se 0.28866(3) 0.96459(2) 0.83238(3) 0.03628(12) Uani 1 1 d U A .
S9A S -0.10231(5) 0.95984(4) 1.01370(4) 0.0194(3) Uani 0.852(3) 1 d PU . .
Se9B Se -0.10231(5) 0.95984(4) 1.01370(4) 0.0194(3) Uani 0.148(3) 1 d PU . .
O1 O 0.06698(16) 0.90179(13) 1.03718(13) 0.0209(5) Uani 1 1 d U A .
O3 O -0.00292(18) 0.74496(14) 1.13544(14) 0.0270(6) Uani 1 1 d U . .
O4 O 0.02893(19) 0.86684(15) 0.83512(15) 0.0299(7) Uani 1 1 d U . .
O5 O 0.35620(19) 1.10223(16) 0.91816(18) 0.0362(8) Uani 1 1 d U A .
C1 C 0.2492(3) 0.82932(19) 0.9408(2) 0.0252(8) Uani 1 1 d U . .
C2 C 0.3265(3) 0.8277(2) 0.9358(2) 0.0300(9) Uani 1 1 d U A .
H2 H 0.3554 0.8666 0.9377 0.036 Uiso 1 1 calc R . .
C3 C 0.3615(3) 0.7690(2) 0.9280(2) 0.0367(10) Uani 1 1 d U . .
H3 H 0.4143 0.7679 0.9242 0.044 Uiso 1 1 calc R A .
C4 C 0.3202(3) 0.7126(2) 0.9258(3) 0.0406(11) Uani 1 1 d U A .
H4 H 0.3447 0.6727 0.9208 0.049 Uiso 1 1 calc R . .
C5 C 0.2436(3) 0.7136(2) 0.9308(3) 0.0448(13) Uani 1 1 d U . .
H5 H 0.2152 0.6744 0.9287 0.054 Uiso 1 1 calc R A .
C6 C 0.2078(3) 0.7718(2) 0.9389(3) 0.0389(11) Uani 1 1 d U A .
H6 H 0.1551 0.7724 0.9431 0.047 Uiso 1 1 calc R . .
C7 C 0.3745(3) 1.0880(2) 1.0893(2) 0.0277(8) Uani 1 1 d U . .
C8 C 0.3364(3) 1.1460(2) 1.0872(3) 0.0396(11) Uani 1 1 d U A .
H8 H 0.2826 1.1486 1.0684 0.048 Uiso 1 1 calc R . .
C9 C 0.3762(4) 1.2009(3) 1.1123(3) 0.0536(15) Uani 1 1 d U . .
H9 H 0.3493 1.2408 1.1101 0.064 Uiso 1 1 calc R A .
C10 C 0.4544(4) 1.1985(3) 1.1404(3) 0.0450(12) Uani 1 1 d U A .
H10 H 0.4816 1.2365 1.1565 0.054 Uiso 1 1 calc R . .
C11 C 0.4918(3) 1.1400(3) 1.1448(3) 0.0432(12) Uani 1 1 d U . .
H11 H 0.5451 1.1372 1.1651 0.052 Uiso 1 1 calc R A .
C12 C 0.4520(3) 1.0846(2) 1.1194(2) 0.0344(10) Uani 1 1 d U A .
H12 H 0.4782 1.0443 1.1230 0.041 Uiso 1 1 calc R . .
C13 C 0.1813(3) 0.7982(3) 1.1737(3) 0.0447(12) Uani 1 1 d U . .
C14 C 0.1743(3) 0.7717(3) 1.1156(4) 0.0521(14) Uani 1 1 d U A .
H14 H 0.1423 0.7914 1.0801 0.063 Uiso 1 1 calc R . .
C15 C 0.2159(4) 0.7140(3) 1.1097(5) 0.0747(19) Uani 1 1 d U . .
H15 H 0.2127 0.6935 1.0705 0.090 Uiso 1 1 calc R A .
C16 C 0.2637(4) 0.6880(3) 1.1671(5) 0.076(2) Uani 1 1 d U A .
H16 H 0.2944 0.6509 1.1644 0.091 Uiso 1 1 calc R . .
C17 C 0.2664(5) 0.7131(4) 1.2220(5) 0.084(2) Uani 1 1 d U . .
H17 H 0.2954 0.6929 1.2584 0.101 Uiso 1 1 calc R A .
C18 C 0.2280(4) 0.7676(3) 1.2260(4) 0.0676(18) Uani 1 1 d U A .
H18 H 0.2322 0.7868 1.2659 0.081 Uiso 1 1 calc R . .
C19 C -0.1866(2) 0.77079(19) 1.1431(2) 0.0244(8) Uani 1 1 d U A .
C20 C -0.1664(3) 0.8015(2) 1.2002(2) 0.0282(9) Uani 1 1 d U . .
H20 H -0.1503 0.8453 1.2020 0.034 Uiso 1 1 calc R A .
C21 C -0.1693(3) 0.7686(2) 1.2556(2) 0.0326(10) Uani 1 1 d U A .
H21 H -0.1552 0.7903 1.2946 0.039 Uiso 1 1 calc R . .
C22 C -0.1925(3) 0.7055(2) 1.2536(3) 0.0376(11) Uani 1 1 d U . .
H22 H -0.1947 0.6832 1.2910 0.045 Uiso 1 1 calc R A .
C23 C -0.2126(3) 0.6745(2) 1.1967(3) 0.0380(11) Uani 1 1 d U A .
H23 H -0.2282 0.6305 1.1951 0.046 Uiso 1 1 calc R . .
C24 C -0.2103(3) 0.7066(2) 1.1421(2) 0.0331(10) Uani 1 1 d U . .
H24 H -0.2251 0.6847 1.1034 0.040 Uiso 1 1 calc R A .
C25 C -0.0715(3) 0.7243(2) 0.9308(2) 0.0326(10) Uani 1 1 d U A .
C26 C -0.0430(4) 0.6659(3) 0.9142(3) 0.0565(15) Uani 1 1 d U . .
H26 H 0.0111 0.6570 0.9253 0.068 Uiso 1 1 calc R A .
C27 C -0.0934(6) 0.6209(3) 0.8814(4) 0.079(2) Uani 1 1 d U A .
H27 H -0.0731 0.5821 0.8683 0.095 Uiso 1 1 calc R . .
C28 C -0.1704(6) 0.6306(4) 0.8677(4) 0.086(2) Uani 1 1 d U . .
H28 H -0.2045 0.5986 0.8462 0.103 Uiso 1 1 calc R A .
C29 C -0.1990(5) 0.6871(4) 0.8851(4) 0.083(2) Uani 1 1 d U A .
H29 H -0.2536 0.6940 0.8759 0.100 Uiso 1 1 calc R . .
C30 C -0.1498(4) 0.7351(3) 0.9161(3) 0.0551(15) Uani 1 1 d U . .
H30 H -0.1705 0.7748 0.9268 0.066 Uiso 1 1 calc R A .
C31 C -0.1762(3) 0.9503(2) 0.7753(2) 0.0369(11) Uani 1 1 d U A .
C32 C -0.1211(4) 0.9655(3) 0.7406(2) 0.0465(13) Uani 1 1 d U . .
H32 H -0.0673 0.9650 0.7597 0.056 Uiso 1 1 calc R A .
C33 C -0.1452(5) 0.9814(3) 0.6777(3) 0.0657(17) Uani 1 1 d U A .
H33 H -0.1078 0.9907 0.6534 0.079 Uiso 1 1 calc R . .
C34 C -0.2233(6) 0.9836(3) 0.6507(3) 0.078(2) Uani 1 1 d U . .
H34 H -0.2396 0.9965 0.6084 0.094 Uiso 1 1 calc R A .
C35 C -0.2774(5) 0.9675(3) 0.6841(3) 0.0714(19) Uani 1 1 d U A .
H35 H -0.3310 0.9678 0.6643 0.086 Uiso 1 1 calc R . .
C36 C -0.2555(4) 0.9506(2) 0.7471(3) 0.0498(14) Uani 1 1 d U . .
H36 H -0.2935 0.9395 0.7702 0.060 Uiso 1 1 calc R A .
C37 C 0.0647(3) 1.0488(2) 0.7476(2) 0.0337(10) Uani 1 1 d U . .
C38 C 0.1158(4) 1.0159(3) 0.7185(3) 0.0476(13) Uani 1 1 d U A .
H38 H 0.1532 0.9874 0.7419 0.057 Uiso 1 1 calc R . .
C39 C 0.1120(5) 1.0245(4) 0.6554(3) 0.0616(16) Uani 1 1 d U . .
H39 H 0.1461 1.0009 0.6355 0.074 Uiso 1 1 calc R A .
C40 C 0.0599(4) 1.0667(3) 0.6212(3) 0.0594(16) Uani 1 1 d U A .
H40 H 0.0581 1.0724 0.5780 0.071 Uiso 1 1 calc R . .
C41 C 0.0103(4) 1.1007(3) 0.6498(3) 0.0559(15) Uani 1 1 d U . .
H41 H -0.0253 1.1305 0.6262 0.067 Uiso 1 1 calc R A .
C42 C 0.0117(4) 1.0919(3) 0.7134(2) 0.0463(13) Uani 1 1 d U A .
H42 H -0.0232 1.1150 0.7328 0.056 Uiso 1 1 calc R . .
C43 C 0.3306(3) 1.0179(2) 0.7764(2) 0.0305(9) Uani 1 1 d U . .
C44 C 0.3868(3) 0.9930(2) 0.7468(2) 0.0335(10) Uani 1 1 d U A .
H44 H 0.4043 0.9499 0.7552 0.040 Uiso 1 1 calc R . .
C45 C 0.4172(3) 1.0300(3) 0.7055(2) 0.0392(11) Uani 1 1 d U . .
H45 H 0.4555 1.0121 0.6858 0.047 Uiso 1 1 calc R A .
C46 C 0.3930(3) 1.0923(3) 0.6924(3) 0.0409(11) Uani 1 1 d U A .
H46 H 0.4141 1.1175 0.6638 0.049 Uiso 1 1 calc R . .
C47 C 0.3373(3) 1.1181(3) 0.7216(3) 0.0407(11) Uani 1 1 d U . .
H47 H 0.3205 1.1614 0.7133 0.049 Uiso 1 1 calc R A .
C48 C 0.3062(3) 1.0811(2) 0.7627(3) 0.0395(11) Uani 1 1 d U A .
H48 H 0.2675 1.0990 0.7818 0.047 Uiso 1 1 calc R . .
O2A O 0.2964(2) 0.88694(17) 1.13228(19) 0.0406(8) Uani 0.514(9) 1 d PDU A 1
C49A C 0.3315(8) 0.9094(10) 1.1949(7) 0.046(2) Uani 0.514(9) 1 d PDU A 1
H49A H 0.2933 0.9072 1.2221 0.055 Uiso 0.514(9) 1 calc PR A 1
H49B H 0.3492 0.9546 1.1936 0.055 Uiso 0.514(9) 1 calc PR A 1
C50A C 0.4007(6) 0.8650(6) 1.2198(5) 0.0447(16) Uani 0.514(9) 1 d PDU A 1
H50A H 0.4413 0.8872 1.2509 0.054 Uiso 0.514(9) 1 calc PR A 1
H50B H 0.3844 0.8252 1.2383 0.054 Uiso 0.514(9) 1 calc PR A 1
C51A C 0.4277(5) 0.8513(7) 1.1606(5) 0.0466(18) Uani 0.514(9) 1 d PDU A 1
H51A H 0.4583 0.8109 1.1643 0.056 Uiso 0.514(9) 1 calc PR A 1
H51B H 0.4598 0.8871 1.1502 0.056 Uiso 0.514(9) 1 calc PR A 1
C52A C 0.3529(7) 0.8448(10) 1.1120(7) 0.0438(14) Uani 0.514(9) 1 d PDU A 1
H52A H 0.3608 0.8583 1.0706 0.053 Uiso 0.514(9) 1 calc PR A 1
H52B H 0.3345 0.7996 1.1093 0.053 Uiso 0.514(9) 1 calc PR A 1
O2B O 0.2964(2) 0.88694(17) 1.13228(19) 0.0406(8) Uani 0.486(9) 1 d PDU A 2
C49B C 0.3442(8) 0.9099(11) 1.1896(7) 0.046(2) Uani 0.486(9) 1 d PDU A 2
H49C H 0.3247 0.8938 1.2259 0.055 Uiso 0.486(9) 1 calc PR A 2
H49D H 0.3449 0.9576 1.1907 0.055 Uiso 0.486(9) 1 calc PR A 2
C50B C 0.4244(5) 0.8835(5) 1.1902(6) 0.0447(16) Uani 0.486(9) 1 d PDU A 2
H50C H 0.4551 0.9143 1.1707 0.054 Uiso 0.486(9) 1 calc PR A 2
H50D H 0.4528 0.8743 1.2333 0.054 Uiso 0.486(9) 1 calc PR A 2
C51B C 0.4087(6) 0.8223(6) 1.1524(6) 0.0466(18) Uani 0.486(9) 1 d PDU A 2
H51C H 0.3959 0.7862 1.1780 0.056 Uiso 0.486(9) 1 calc PR A 2
H51D H 0.4538 0.8102 1.1346 0.056 Uiso 0.486(9) 1 calc PR A 2
C52B C 0.3391(8) 0.8411(11) 1.1017(7) 0.0438(14) Uani 0.486(9) 1 d PDU A 2
H52C H 0.3560 0.8614 1.0660 0.053 Uiso 0.486(9) 1 calc PR A 2
H52D H 0.3067 0.8029 1.0866 0.053 Uiso 0.486(9) 1 calc PR A 2
C53 C 0.0192(3) 0.7262(2) 1.2008(2) 0.0304(9) Uani 1 1 d U A .
H53A H -0.0264 0.7267 1.2206 0.037 Uiso 1 1 calc R . .
H53B H 0.0595 0.7555 1.2242 0.037 Uiso 1 1 calc R . .
C54 C 0.0507(3) 0.6585(2) 1.1990(2) 0.0360(10) Uani 1 1 d U . .
H54A H 0.1047 0.6588 1.1927 0.043 Uiso 1 1 calc R A .
H54B H 0.0488 0.6344 1.2376 0.043 Uiso 1 1 calc R . .
C55 C -0.0051(3) 0.6308(2) 1.1432(2) 0.0387(11) Uani 1 1 d U A .
H55A H -0.0545 0.6175 1.1541 0.046 Uiso 1 1 calc R . .
H55B H 0.0180 0.5933 1.1259 0.046 Uiso 1 1 calc R . .
C56 C -0.0175(3) 0.6870(2) 1.0976(2) 0.0342(10) Uani 1 1 d U A .
H56A H 0.0189 0.6842 1.0690 0.041 Uiso 1 1 calc R . .
H56B H -0.0714 0.6869 1.0724 0.041 Uiso 1 1 calc R . .
C57 C 0.0864(3) 0.8709(2) 0.7968(2) 0.0378(11) Uani 1 1 d U A .
H57A H 0.1339 0.8929 0.8198 0.045 Uiso 1 1 calc R . .
H57B H 0.0654 0.8954 0.7581 0.045 Uiso 1 1 calc R . .
C58 C 0.1047(3) 0.8026(3) 0.7815(3) 0.0448(13) Uani 1 1 d U . .
H58A H 0.1544 0.7880 0.8081 0.054 Uiso 1 1 calc R A .
H58B H 0.1078 0.7984 0.7371 0.054 Uiso 1 1 calc R . .
C59 C 0.0343(4) 0.7636(3) 0.7956(3) 0.0497(14) Uani 1 1 d U A .
H59A H 0.0103 0.7365 0.7595 0.060 Uiso 1 1 calc R . .
H59B H 0.0511 0.7356 0.8326 0.060 Uiso 1 1 calc R . .
C60 C -0.0213(3) 0.8144(2) 0.8078(2) 0.0327(10) Uani 1 1 d U A .
H60A H -0.0566 0.8281 0.7685 0.039 Uiso 1 1 calc R . .
H60B H -0.0528 0.7985 0.8371 0.039 Uiso 1 1 calc R . .
C61 C 0.3817(3) 1.1682(3) 0.9164(3) 0.0416(11) Uani 1 1 d U . .
H61A H 0.3434 1.1982 0.9280 0.050 Uiso 1 1 calc R A .
H61B H 0.3891 1.1796 0.8742 0.050 Uiso 1 1 calc R . .
C62 C 0.4579(3) 1.1707(3) 0.9634(3) 0.0519(14) Uani 1 1 d U A .
H62A H 0.4498 1.1856 1.0044 0.062 Uiso 1 1 calc R . .
H62B H 0.4948 1.2004 0.9493 0.062 Uiso 1 1 calc R . .
C63 C 0.4888(3) 1.1018(3) 0.9678(3) 0.0485(13) Uani 1 1 d U . .
H63A H 0.5391 1.0996 0.9546 0.058 Uiso 1 1 calc R A .
H63B H 0.4960 1.0854 1.0110 0.058 Uiso 1 1 calc R . .
C64 C 0.4275(3) 1.0638(3) 0.9243(3) 0.0440(12) Uani 1 1 d U A .
H64A H 0.4415 1.0582 0.8832 0.053 Uiso 1 1 calc R . .
H64B H 0.4208 1.0207 0.9419 0.053 Uiso 1 1 calc R . .
O6 O 0.0182(4) 0.8065(3) 0.6250(3) 0.1027(19) Uani 1 1 d DU . .
C65 C 0.0745(5) 0.8424(4) 0.5980(4) 0.092(2) Uani 1 1 d DU . .
H65A H 0.1012 0.8753 0.6276 0.110 Uiso 1 1 calc R . .
H65B H 0.1140 0.8130 0.5873 0.110 Uiso 1 1 calc R . .
C66 C 0.0295(5) 0.8722(5) 0.5429(4) 0.098(3) Uani 1 1 d DU . .
H66A H 0.0213 0.8423 0.5069 0.118 Uiso 1 1 calc R . .
H66B H 0.0551 0.9119 0.5322 0.118 Uiso 1 1 calc R . .
C67 C -0.0475(5) 0.8879(5) 0.5619(5) 0.103(3) Uani 1 1 d DU . .
H67A H -0.0458 0.9316 0.5803 0.124 Uiso 1 1 calc R . .
H67B H -0.0915 0.8856 0.5253 0.124 Uiso 1 1 calc R . .
C68 C -0.0550(5) 0.8403(5) 0.6065(5) 0.102(3) Uani 1 1 d DU . .
H68A H -0.0968 0.8096 0.5883 0.123 Uiso 1 1 calc R . .
H68B H -0.0689 0.8609 0.6434 0.123 Uiso 1 1 calc R . .
O7 O 0.2650(10) 1.0430(6) 0.5364(7) 0.249(5) Uani 1 1 d DU . .
C69 C 0.2027(7) 0.9952(9) 0.5200(9) 0.217(5) Uani 1 1 d DU . .
H69A H 0.1671 0.9982 0.5494 0.261 Uiso 1 1 calc R . .
H69B H 0.1722 1.0033 0.4773 0.261 Uiso 1 1 calc R . .
C70 C 0.2363(10) 0.9344(6) 0.5234(10) 0.224(5) Uani 1 1 d DU . .
H70A H 0.2180 0.9107 0.4839 0.269 Uiso 1 1 calc R . .
H70B H 0.2227 0.9092 0.5579 0.269 Uiso 1 1 calc R . .
C71 C 0.3249(9) 0.9454(8) 0.5352(9) 0.223(6) Uani 1 1 d DU . .
H71A H 0.3498 0.9339 0.5787 0.268 Uiso 1 1 calc R . .
H71B H 0.3481 0.9187 0.5066 0.268 Uiso 1 1 calc R . .
C72 C 0.3355(8) 1.0116(9) 0.5244(9) 0.224(5) Uani 1 1 d DU . .
H72A H 0.3405 1.0190 0.4808 0.269 Uiso 1 1 calc R . .
H72B H 0.3827 1.0282 0.5530 0.269 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Nd Nd -0.1943 3.0179 '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 Nd1 O2A 125.00(11) . .
O1 Nd1 Se6 108.39(7) . 3_577
O2A Nd1 Se6 116.97(10) . 3_577
O1 Nd1 Se9B 74.73(7) . 3_577
O2A Nd1 Se9B 150.22(8) . 3_577
Se6 Nd1 Se9B 68.137(19) 3_577 3_577
O1 Nd1 S9A 74.73(7) . 3_577
O2A Nd1 S9A 150.22(8) . 3_577
Se6 Nd1 S9A 68.137(19) 3_577 3_577
Se9B Nd1 S9A 0.00(4) 3_577 3_577
O1 Nd1 Se1 75.87(7) . .
O2A Nd1 Se1 93.01(10) . .
Se6 Nd1 Se1 133.486(14) 3_577 .
Se9B Nd1 Se1 68.786(18) 3_577 .
S9A Nd1 Se1 68.786(18) 3_577 .
O1 Nd1 Se3 76.54(7) . .
O2A Nd1 Se3 75.34(9) . .
Se6 Nd1 Se3 88.435(15) 3_577 .
Se9B Nd1 Se3 134.17(2) 3_577 .
S9A Nd1 Se3 134.17(2) 3_577 .
Se1 Nd1 Se3 135.431(15) . .
O1 Nd1 Se2 141.76(7) . .
O2A Nd1 Se2 71.15(8) . .
Se6 Nd1 Se2 87.721(14) 3_577 .
Se9B Nd1 Se2 80.070(18) 3_577 .
S9A Nd1 Se2 80.070(18) 3_577 .
Se1 Nd1 Se2 68.336(13) . .
Se3 Nd1 Se2 139.971(15) . .
O1 Nd1 Nd3 32.19(7) . .
O2A Nd1 Nd3 136.02(10) . .
Se6 Nd1 Nd3 106.981(11) 3_577 .
Se9B Nd1 Nd3 49.048(17) 3_577 .
S9A Nd1 Nd3 49.048(17) 3_577 .
Se1 Nd1 Nd3 52.457(10) . .
Se3 Nd1 Nd3 108.675(12) . .
Se2 Nd1 Nd3 110.538(12) . .
O1 Nd1 Nd2 27.73(7) . .
O2A Nd1 Nd2 112.93(8) . .
Se6 Nd1 Nd2 98.524(11) 3_577 .
Se9B Nd1 Nd2 94.163(17) 3_577 .
S9A Nd1 Nd2 94.163(17) 3_577 .
Se1 Nd1 Nd2 101.248(10) . .
Se3 Nd1 Nd2 49.434(10) . .
Se2 Nd1 Nd2 169.325(12) . .
Nd3 Nd1 Nd2 59.408(6) . .
O1 Nd2 O3 126.36(10) . .
O1 Nd2 S9A 73.82(7) . .
O3 Nd2 S9A 151.83(8) . .
O1 Nd2 Se5 65.35(7) . .
O3 Nd2 Se5 83.42(7) . .
S9A Nd2 Se5 89.853(19) . .
O1 Nd2 Se3 77.01(8) . .
O3 Nd2 Se3 81.80(7) . .
S9A Nd2 Se3 124.92(2) . .
Se5 Nd2 Se3 118.226(15) . .
O1 Nd2 Se7 107.18(7) . 3_577
O3 Nd2 Se7 117.21(7) . 3_577
S9A Nd2 Se7 65.217(18) . 3_577
Se5 Nd2 Se7 154.951(14) . 3_577
Se3 Nd2 Se7 80.738(15) . 3_577
O1 Nd2 Se4 138.54(8) . .
O3 Nd2 Se4 77.89(7) . .
S9A Nd2 Se4 74.596(18) . .
Se5 Nd2 Se4 88.491(13) . .
Se3 Nd2 Se4 144.162(14) . .
Se7 Nd2 Se4 82.732(13) 3_577 .
O1 Nd2 Nd3 31.72(7) . .
O3 Nd2 Nd3 132.60(7) . .
S9A Nd2 Nd3 53.032(16) . .
Se5 Nd2 Nd3 50.367(10) . .
Se3 Nd2 Nd3 108.669(12) . .
Se7 Nd2 Nd3 110.142(10) 3_577 .
Se4 Nd2 Nd3 106.833(10) . .
O1 Nd2 Nd1 27.64(8) . .
O3 Nd2 Nd1 117.61(7) . .
S9A Nd2 Nd1 89.262(17) . .
Se5 Nd2 Nd1 87.562(10) . .
Se3 Nd2 Nd1 50.000(10) . .
Se7 Nd2 Nd1 94.187(11) 3_577 .
Se4 Nd2 Nd1 163.390(11) . .
Nd3 Nd2 Nd1 58.836(6) . .
O1 Nd3 O4 133.37(10) . .
O1 Nd3 Se9B 74.82(7) . 3_577
O4 Nd3 Se9B 127.36(7) . 3_577
O1 Nd3 S9A 74.82(7) . 3_577
O4 Nd3 S9A 127.36(7) . 3_577
Se9B Nd3 S9A 0.00(4) 3_577 3_577
O1 Nd3 Se5 64.72(7) . .
O4 Nd3 Se5 80.20(7) . .
Se9B Nd3 Se5 138.918(19) 3_577 .
S9A Nd3 Se5 138.918(19) 3_577 .
O1 Nd3 Se6 129.17(7) . .
O4 Nd3 Se6 78.89(8) . .
Se9B Nd3 Se6 120.480(19) 3_577 .
S9A Nd3 Se6 120.480(19) 3_577 .
Se5 Nd3 Se6 91.821(13) . .
O1 Nd3 Se1 73.48(7) . .
O4 Nd3 Se1 78.90(8) . .
Se9B Nd3 Se1 68.211(18) 3_577 .
S9A Nd3 Se1 68.211(18) 3_577 .
Se5 Nd3 Se1 92.827(13) . .
Se6 Nd3 Se1 156.167(14) . .
O1 Nd3 S9A 69.44(7) . .
O4 Nd3 S9A 140.32(8) . .
Se9B Nd3 S9A 86.15(2) 3_577 .
S9A Nd3 S9A 86.15(2) 3_577 .
Se5 Nd3 S9A 86.284(17) . .
Se6 Nd3 S9A 64.365(19) . .
Se1 Nd3 S9A 139.281(19) . .
O1 Nd3 Se7 132.19(7) . .
O4 Nd3 Se7 72.82(7) . .
Se9B Nd3 Se7 60.133(17) 3_577 .
S9A Nd3 Se7 60.133(17) 3_577 .
Se5 Nd3 Se7 152.151(12) . .
Se6 Nd3 Se7 89.669(13) . .
Se1 Nd3 Se7 75.580(12) . .
S9A Nd3 Se7 119.084(17) . .
O1 Nd3 Nd1 31.29(7) . .
O4 Nd3 Nd1 127.97(8) . .
Se9B Nd3 Nd1 49.965(16) 3_577 .
S9A Nd3 Nd1 49.965(16) 3_577 .
Se5 Nd3 Nd1 89.547(11) . .
Se6 Nd3 Nd1 152.840(11) . .
Se1 Nd3 Nd1 50.602(10) . .
S9A Nd3 Nd1 88.680(17) . .
Se7 Nd3 Nd1 101.531(11) . .
O1 Nd3 Nd2 30.94(7) . .
O4 Nd3 Nd2 130.36(7) . .
Se9B Nd3 Nd2 96.717(17) 3_577 .
S9A Nd3 Nd2 96.717(17) 3_577 .
Se5 Nd3 Nd2 50.171(9) . .
Se6 Nd3 Nd2 99.168(11) . .
Se1 Nd3 Nd2 101.742(10) . .
S9A Nd3 Nd2 48.748(15) . .
Se7 Nd3 Nd2 156.294(10) . .
Nd1 Nd3 Nd2 61.756(7) . .
O5 Nd4 Se8 80.19(9) . .
O5 Nd4 Se9B 145.25(9) . 3_577
Se8 Nd4 Se9B 133.95(2) . 3_577
O5 Nd4 S9A 145.25(9) . 3_577
Se8 Nd4 S9A 133.95(2) . 3_577
Se9B Nd4 S9A 0.00(3) 3_577 3_577
O5 Nd4 Se2 80.42(9) . .
Se8 Nd4 Se2 106.290(16) . .
Se9B Nd4 Se2 82.726(19) 3_577 .
S9A Nd4 Se2 82.726(19) 3_577 .
O5 Nd4 Se4 80.86(8) . 3_577
Se8 Nd4 Se4 139.413(14) . 3_577
Se9B Nd4 Se4 74.690(17) 3_577 3_577
S9A Nd4 Se4 74.690(17) 3_577 3_577
Se2 Nd4 Se4 105.464(14) . 3_577
O5 Nd4 Se1 131.58(8) . .
Se8 Nd4 Se1 72.573(13) . .
Se9B Nd4 Se1 68.429(17) 3_577 .
S9A Nd4 Se1 68.429(17) 3_577 .
Se2 Nd4 Se1 70.256(13) . .
Se4 Nd4 Se1 143.118(13) 3_577 .
O5 Nd4 Se7 136.23(9) . .
Se8 Nd4 Se7 87.191(16) . .
Se9B Nd4 Se7 64.358(19) 3_577 .
S9A Nd4 Se7 64.358(19) 3_577 .
Se2 Nd4 Se7 143.203(13) . .
Se4 Nd4 Se7 82.248(13) 3_577 .
Se1 Nd4 Se7 82.105(13) . .
C1 Se1 Nd1 119.13(13) . .
C1 Se1 Nd4 131.77(13) . .
Nd1 Se1 Nd4 91.597(13) . .
C1 Se1 Nd3 123.92(14) . .
Nd1 Se1 Nd3 76.941(11) . .
Nd4 Se1 Nd3 97.290(13) . .
C7 Se2 Nd4 109.87(13) . .
C7 Se2 Nd1 122.95(13) . .
Nd4 Se2 Nd1 90.583(14) . .
C13 Se3 Nd2 96.02(18) . .
C13 Se3 Nd1 93.24(17) . .
Nd2 Se3 Nd1 80.566(13) . .
C19 Se4 Nd4 107.76(13) . 3_577
C19 Se4 Nd2 101.57(13) . .
Nd4 Se4 Nd2 90.371(13) 3_577 .
C25 Se5 Nd2 125.35(13) . .
C25 Se5 Nd3 128.06(15) . .
Nd2 Se5 Nd3 79.462(12) . .
C31 Se6 Nd1 102.48(14) . 3_577
C31 Se6 Nd3 122.71(18) . .
Nd1 Se6 Nd3 94.115(13) 3_577 .
C37 Se7 Nd2 119.95(16) . 3_577
C37 Se7 Nd4 116.60(16) . .
Nd2 Se7 Nd4 89.775(13) 3_577 .
C37 Se7 Nd3 138.16(14) . .
Nd2 Se7 Nd3 89.928(12) 3_577 .
Nd4 Se7 Nd3 89.815(12) . .
C43 Se8 Nd4 108.59(14) . .
Nd3 S9A Nd2 102.92(3) 3_577 .
Nd3 S9A Nd1 80.99(2) 3_577 3_577
Nd2 S9A Nd1 169.71(3) . 3_577
Nd3 S9A Nd4 103.43(2) 3_577 3_577
Nd2 S9A Nd4 93.71(2) . 3_577
Nd1 S9A Nd4 94.62(2) 3_577 3_577
Nd3 S9A Nd3 93.85(2) 3_577 .
Nd2 S9A Nd3 78.22(2) . .
Nd1 S9A Nd3 92.10(2) 3_577 .
Nd4 S9A Nd3 162.23(3) 3_577 .
Nd1 O1 Nd2 124.63(13) . .
Nd1 O1 Nd3 116.52(12) . .
Nd2 O1 Nd3 117.34(12) . .
C56 O3 C53 108.6(3) . .
C56 O3 Nd2 122.9(3) . .
C53 O3 Nd2 128.5(3) . .
C60 O4 C57 104.1(3) . .
C60 O4 Nd3 124.5(2) . .
C57 O4 Nd3 131.0(3) . .
C61 O5 C64 104.6(4) . .
C61 O5 Nd4 136.0(3) . .
C64 O5 Nd4 119.1(3) . .
C2 C1 C6 119.5(4) . .
C2 C1 Se1 121.4(3) . .
C6 C1 Se1 119.1(3) . .
C1 C2 C3 119.9(4) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 120.3(5) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 120.4(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 120.1(5) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C5 C6 C1 119.8(5) . .
C5 C6 H6 120.1 . .
C1 C6 H6 120.1 . .
C8 C7 C12 119.0(5) . .
C8 C7 Se2 122.3(4) . .
C12 C7 Se2 118.5(4) . .
C7 C8 C9 120.2(5) . .
C7 C8 H8 119.9 . .
C9 C8 H8 119.9 . .
C10 C9 C8 121.2(6) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C11 C10 C9 118.7(5) . .
C11 C10 H10 120.7 . .
C9 C10 H10 120.7 . .
C10 C11 C12 120.3(5) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C7 C12 C11 120.5(5) . .
C7 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C14 C13 C18 119.8(6) . .
C14 C13 Se3 123.4(4) . .
C18 C13 Se3 116.8(6) . .
C13 C14 C15 118.4(7) . .
C13 C14 H14 120.8 . .
C15 C14 H14 120.8 . .
C14 C15 C16 116.4(8) . .
C14 C15 H15 121.8 . .
C16 C15 H15 121.8 . .
C17 C16 C15 123.4(7) . .
C17 C16 H16 118.3 . .
C15 C16 H16 118.3 . .
C16 C17 C18 118.8(8) . .
C16 C17 H17 120.6 . .
C18 C17 H17 120.6 . .
C17 C18 C13 123.0(9) . .
C17 C18 H18 118.5 . .
C13 C18 H18 118.5 . .
C20 C19 C24 118.1(4) . .
C20 C19 Se4 121.9(3) . .
C24 C19 Se4 120.0(3) . .
C19 C20 C21 120.8(4) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C22 C21 C20 120.1(5) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 119.4(4) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 120.7(5) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 C19 120.9(5) . .
C23 C24 H24 119.6 . .
C19 C24 H24 119.6 . .
C30 C25 C26 118.9(5) . .
C30 C25 Se5 122.0(4) . .
C26 C25 Se5 119.0(5) . .
C27 C26 C25 119.9(7) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C28 C27 C26 121.5(7) . .
C28 C27 H27 119.2 . .
C26 C27 H27 119.2 . .
C27 C28 C29 118.9(7) . .
C27 C28 H28 120.5 . .
C29 C28 H28 120.5 . .
C28 C29 C30 121.4(8) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C25 C30 C29 119.2(6) . .
C25 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C32 C31 C36 120.2(5) . .
C32 C31 Se6 122.4(4) . .
C36 C31 Se6 117.3(5) . .
C31 C32 C33 119.6(7) . .
C31 C32 H32 120.2 . .
C33 C32 H32 120.2 . .
C34 C33 C32 119.9(7) . .
C34 C33 H33 120.1 . .
C32 C33 H33 120.1 . .
C35 C34 C33 120.7(6) . .
C35 C34 H34 119.7 . .
C33 C34 H34 119.7 . .
C34 C35 C36 121.0(7) . .
C34 C35 H35 119.5 . .
C36 C35 H35 119.5 . .
C35 C36 C31 118.5(7) . .
C35 C36 H36 120.8 . .
C31 C36 H36 120.8 . .
C38 C37 C42 119.6(5) . .
C38 C37 Se7 120.0(4) . .
C42 C37 Se7 120.3(4) . .
C39 C38 C37 120.0(6) . .
C39 C38 H38 120.0 . .
C37 C38 H38 120.0 . .
C40 C39 C38 120.9(6) . .
C40 C39 H39 119.6 . .
C38 C39 H39 119.6 . .
C39 C40 C41 119.7(5) . .
C39 C40 H40 120.1 . .
C41 C40 H40 120.1 . .
C40 C41 C42 120.6(6) . .
C40 C41 H41 119.7 . .
C42 C41 H41 119.7 . .
C37 C42 C41 119.2(6) . .
C37 C42 H42 120.4 . .
C41 C42 H42 120.4 . .
C48 C43 C44 117.8(4) . .
C48 C43 Se8 122.6(3) . .
C44 C43 Se8 119.6(3) . .
C45 C44 C43 120.8(5) . .
C45 C44 H44 119.6 . .
C43 C44 H44 119.6 . .
C46 C45 C44 120.9(5) . .
C46 C45 H45 119.5 . .
C44 C45 H45 119.5 . .
C45 C46 C47 119.1(5) . .
C45 C46 H46 120.5 . .
C47 C46 H46 120.5 . .
C48 C47 C46 120.2(5) . .
C48 C47 H47 119.9 . .
C46 C47 H47 119.9 . .
C47 C48 C43 121.1(5) . .
C47 C48 H48 119.4 . .
C43 C48 H48 119.4 . .
C49A O2A C52A 107.4(6) . .
C49A O2A Nd1 114.7(5) . .
C52A O2A Nd1 135.8(6) . .
O2A C49A C50A 106.8(7) . .
O2A C49A H49A 110.4 . .
C50A C49A H49A 110.4 . .
O2A C49A H49B 110.4 . .
C50A C49A H49B 110.4 . .
H49A C49A H49B 108.6 . .
C51A C50A C49A 100.4(9) . .
C51A C50A H50A 111.7 . .
C49A C50A H50A 111.7 . .
C51A C50A H50B 111.7 . .
C49A C50A H50B 111.7 . .
H50A C50A H50B 109.5 . .
C50A C51A C52A 103.7(8) . .
C50A C51A H51A 111.0 . .
C52A C51A H51A 111.0 . .
C50A C51A H51B 111.0 . .
C52A C51A H51B 111.0 . .
H51A C51A H51B 109.0 . .
O2A C52A C51A 106.2(7) . .
O2A C52A H52A 110.5 . .
C51A C52A H52A 110.5 . .
O2A C52A H52B 110.5 . .
C51A C52A H52B 110.5 . .
H52A C52A H52B 108.7 . .
C50B C49B H49C 110.8 . .
C50B C49B H49D 110.8 . .
H49C C49B H49D 108.8 . .
C51B C50B C49B 103.8(9) . .
C51B C50B H50C 111.0 . .
C49B C50B H50C 111.0 . .
C51B C50B H50D 111.0 . .
C49B C50B H50D 111.0 . .
H50C C50B H50D 109.0 . .
C50B C51B C52B 102.2(9) . .
C50B C51B H51C 111.3 . .
C52B C51B H51C 111.3 . .
C50B C51B H51D 111.3 . .
C52B C51B H51D 111.3 . .
H51C C51B H51D 109.2 . .
C51B C52B H52C 110.9 . .
C51B C52B H52D 110.9 . .
H52C C52B H52D 109.0 . .
O3 C53 C54 104.1(4) . .
O3 C53 H53A 110.9 . .
C54 C53 H53A 110.9 . .
O3 C53 H53B 110.9 . .
C54 C53 H53B 110.9 . .
H53A C53 H53B 109.0 . .
C55 C54 C53 101.4(4) . .
C55 C54 H54A 111.5 . .
C53 C54 H54A 111.5 . .
C55 C54 H54B 111.5 . .
C53 C54 H54B 111.5 . .
H54A C54 H54B 109.3 . .
C54 C55 C56 102.6(4) . .
C54 C55 H55A 111.2 . .
C56 C55 H55A 111.2 . .
C54 C55 H55B 111.2 . .
C56 C55 H55B 111.2 . .
H55A C55 H55B 109.2 . .
O3 C56 C55 105.9(4) . .
O3 C56 H56A 110.5 . .
C55 C56 H56A 110.5 . .
O3 C56 H56B 110.5 . .
C55 C56 H56B 110.5 . .
H56A C56 H56B 108.7 . .
O4 C57 C58 106.4(4) . .
O4 C57 H57A 110.4 . .
C58 C57 H57A 110.4 . .
O4 C57 H57B 110.4 . .
C58 C57 H57B 110.4 . .
H57A C57 H57B 108.6 . .
C57 C58 C59 103.0(4) . .
C57 C58 H58A 111.2 . .
C59 C58 H58A 111.2 . .
C57 C58 H58B 111.2 . .
C59 C58 H58B 111.2 . .
H58A C58 H58B 109.1 . .
C60 C59 C58 104.4(4) . .
C60 C59 H59A 110.9 . .
C58 C59 H59A 110.9 . .
C60 C59 H59B 110.9 . .
C58 C59 H59B 110.9 . .
H59A C59 H59B 108.9 . .
O4 C60 C59 103.6(4) . .
O4 C60 H60A 111.0 . .
C59 C60 H60A 111.0 . .
O4 C60 H60B 111.0 . .
C59 C60 H60B 111.0 . .
H60A C60 H60B 109.0 . .
O5 C61 C62 104.6(5) . .
O5 C61 H61A 110.8 . .
C62 C61 H61A 110.8 . .
O5 C61 H61B 110.8 . .
C62 C61 H61B 110.8 . .
H61A C61 H61B 108.9 . .
C61 C62 C63 105.2(5) . .
C61 C62 H62A 110.7 . .
C63 C62 H62A 110.7 . .
C61 C62 H62B 110.7 . .
C63 C62 H62B 110.7 . .
H62A C62 H62B 108.8 . .
C64 C63 C62 104.7(5) . .
C64 C63 H63A 110.8 . .
C62 C63 H63A 110.8 . .
C64 C63 H63B 110.8 . .
C62 C63 H63B 110.8 . .
H63A C63 H63B 108.9 . .
O5 C64 C63 104.8(5) . .
O5 C64 H64A 110.8 . .
C63 C64 H64A 110.8 . .
O5 C64 H64B 110.8 . .
C63 C64 H64B 110.8 . .
H64A C64 H64B 108.9 . .
C68 O6 C65 106.3(7) . .
C66 C65 O6 105.1(6) . .
C66 C65 H65A 110.7 . .
O6 C65 H65A 110.7 . .
C66 C65 H65B 110.7 . .
O6 C65 H65B 110.7 . .
H65A C65 H65B 108.8 . .
C65 C66 C67 102.9(5) . .
C65 C66 H66A 111.2 . .
C67 C66 H66A 111.2 . .
C65 C66 H66B 111.2 . .
C67 C66 H66B 111.2 . .
H66A C66 H66B 109.1 . .
C68 C67 C66 105.0(5) . .
C68 C67 H67A 110.7 . .
C66 C67 H67A 110.7 . .
C68 C67 H67B 110.7 . .
C66 C67 H67B 110.7 . .
H67A C67 H67B 108.8 . .
C67 C68 O6 108.7(6) . .
C67 C68 H68A 109.9 . .
O6 C68 H68A 109.9 . .
C67 C68 H68B 109.9 . .
O6 C68 H68B 109.9 . .
H68A C68 H68B 108.3 . .
C69 O7 C72 105.8(8) . .
C70 C69 O7 108.2(7) . .
C70 C69 H69A 110.1 . .
O7 C69 H69A 110.1 . .
C70 C69 H69B 110.1 . .
O7 C69 H69B 110.1 . .
H69A C69 H69B 108.4 . .
C69 C70 C71 106.2(5) . .
C69 C70 H70A 110.5 . .
C71 C70 H70A 110.5 . .
C69 C70 H70B 110.5 . .
C71 C70 H70B 110.5 . .
H70A C70 H70B 108.7 . .
C72 C71 C70 106.3(6) . .
C72 C71 H71A 110.5 . .
C70 C71 H71A 110.5 . .
C72 C71 H71B 110.5 . .
C70 C71 H71B 110.5 . .
H71A C71 H71B 108.7 . .
C71 C72 O7 104.6(8) . .
C71 C72 H72A 110.8 . .
O7 C72 H72A 110.8 . .
C71 C72 H72B 110.8 . .
O7 C72 H72B 110.8 . .
H72A C72 H72B 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.210(3) .
Nd1 O2A 2.457(3) .
Nd1 Se6 2.9247(5) 3_577
Nd1 Se9B 2.9516(8) 3_577
Nd1 S9A 2.9516(8) 3_577
Nd1 Se1 3.0203(5) .
Nd1 Se3 3.0439(5) .
Nd1 Se2 3.1382(5) .
Nd1 Nd3 3.8075(4) .
Nd1 Nd2 3.9198(4) .
Nd2 O1 2.217(3) .
Nd2 O3 2.517(3) .
Nd2 S9A 2.9416(8) .
Nd2 Se5 2.9920(5) .
Nd2 Se3 3.0186(5) .
Nd2 Se7 3.0243(5) 3_577
Nd2 Se4 3.0458(5) .
Nd2 Nd3 3.8302(3) .
Nd3 O1 2.267(3) .
Nd3 O4 2.522(3) .
Nd3 Se9B 2.9116(8) 3_577
Nd3 S9A 2.9116(8) 3_577
Nd3 Se5 3.0005(5) .
Nd3 Se6 3.0534(5) .
Nd3 Se1 3.0991(5) .
Nd3 S9A 3.1261(8) .
Nd3 Se7 3.4413(5) .
Nd4 O5 2.454(3) .
Nd4 Se8 2.9270(5) .
Nd4 Se9B 2.9591(8) 3_577
Nd4 S9A 2.9591(8) 3_577
Nd4 Se2 2.9727(5) .
Nd4 Se4 3.0229(5) 3_577
Nd4 Se1 3.0399(5) .
Nd4 Se7 3.0761(5) .
Se1 C1 1.917(4) .
Se2 C7 1.929(5) .
Se3 C13 1.911(6) .
Se4 C19 1.923(4) .
Se4 Nd4 3.0230(5) 3_577
Se5 C25 1.904(5) .
Se6 C31 1.916(5) .
Se6 Nd1 2.9248(5) 3_577
Se7 C37 1.943(4) .
Se7 Nd2 3.0242(5) 3_577
Se8 C43 1.915(4) .
S9A Nd3 2.9116(8) 3_577
S9A Nd1 2.9516(8) 3_577
S9A Nd4 2.9591(8) 3_577
O3 C56 1.453(5) .
O3 C53 1.457(5) .
O4 C60 1.449(5) .
O4 C57 1.449(5) .
O5 C61 1.442(6) .
O5 C64 1.468(6) .
C1 C2 1.387(6) .
C1 C6 1.394(6) .
C2 C3 1.393(6) .
C2 H2 0.9500 .
C3 C4 1.371(8) .
C3 H3 0.9500 .
C4 C5 1.376(8) .
C4 H4 0.9500 .
C5 C6 1.392(7) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.374(7) .
C7 C12 1.384(7) .
C8 C9 1.386(8) .
C8 H8 0.9500 .
C9 C10 1.383(9) .
C9 H9 0.9500 .
C10 C11 1.374(8) .
C10 H10 0.9500 .
C11 C12 1.398(7) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.368(9) .
C13 C18 1.412(8) .
C14 C15 1.423(8) .
C14 H14 0.9500 .
C15 C16 1.460(12) .
C15 H15 0.9500 .
C16 C17 1.302(13) .
C16 H16 0.9500 .
C17 C18 1.328(10) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.383(6) .
C19 C24 1.393(6) .
C20 C21 1.403(6) .
C20 H20 0.9500 .
C21 C22 1.369(7) .
C21 H21 0.9500 .
C22 C23 1.383(8) .
C22 H22 0.9500 .
C23 C24 1.377(7) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C30 1.365(8) .
C25 C26 1.389(7) .
C26 C27 1.379(9) .
C26 H26 0.9500 .
C27 C28 1.339(12) .
C27 H27 0.9500 .
C28 C29 1.361(12) .
C28 H28 0.9500 .
C29 C30 1.398(9) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C32 1.390(8) .
C31 C36 1.400(8) .
C32 C33 1.395(8) .
C32 H32 0.9500 .
C33 C34 1.375(12) .
C33 H33 0.9500 .
C34 C35 1.362(12) .
C34 H34 0.9500 .
C35 C36 1.397(9) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 C38 1.388(8) .
C37 C42 1.390(8) .
C38 C39 1.384(8) .
C38 H38 0.9500 .
C39 C40 1.367(10) .
C39 H39 0.9500 .
C40 C41 1.374(10) .
C40 H40 0.9500 .
C41 C42 1.402(7) .
C41 H41 0.9500 .
C42 H42 0.9500 .
C43 C48 1.390(7) .
C43 C44 1.392(6) .
C44 C45 1.382(6) .
C44 H44 0.9500 .
C45 C46 1.371(7) .
C45 H45 0.9500 .
C46 C47 1.387(8) .
C46 H46 0.9500 .
C47 C48 1.384(7) .
C47 H47 0.9500 .
C48 H48 0.9500 .
O2A C49A 1.457(9) .
O2A C52A 1.461(8) .
C49A C50A 1.530(12) .
C49A H49A 0.9900 .
C49A H49B 0.9900 .
C50A C51A 1.502(12) .
C50A H50A 0.9900 .
C50A H50B 0.9900 .
C51A C52A 1.512(12) .
C51A H51A 0.9900 .
C51A H51B 0.9900 .
C52A H52A 0.9900 .
C52A H52B 0.9900 .
C49B C50B 1.511(12) .
C49B H49C 0.9900 .
C49B H49D 0.9900 .
C50B C51B 1.507(12) .
C50B H50C 0.9900 .
C50B H50D 0.9900 .
C51B C52B 1.518(12) .
C51B H51C 0.9900 .
C51B H51D 0.9900 .
C52B H52C 0.9900 .
C52B H52D 0.9900 .
C53 C54 1.512(6) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.509(8) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.521(6) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.506(7) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 C59 1.564(8) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 C60 1.500(7) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 C62 1.508(8) .
C61 H61A 0.9900 .
C61 H61B 0.9900 .
C62 C63 1.524(9) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.503(9) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
O6 C68 1.447(8) .
O6 C65 1.461(8) .
C65 C66 1.436(9) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 C67 1.534(11) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.415(9) .
C67 H67A 0.9900 .
C67 H67B 0.9900 .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
O7 C69 1.465(9) .
O7 C72 1.474(10) .
C69 C70 1.388(10) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 C71 1.541(13) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 C72 1.412(10) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
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
O2A Nd1 Nd2 O1 -122.25(18) . .
Se6 Nd1 Nd2 O1 113.60(15) 3_577 .
Se9B Nd1 Nd2 O1 45.11(15) 3_577 .
S9A Nd1 Nd2 O1 45.11(15) 3_577 .
Se1 Nd1 Nd2 O1 -24.07(15) . .
Se3 Nd1 Nd2 O1 -165.88(15) . .
Se2 Nd1 Nd2 O1 -11.71(16) . .
Nd3 Nd1 Nd2 O1 8.86(15) . .
O1 Nd1 Nd2 O3 116.33(17) . .
O2A Nd1 Nd2 O3 -5.92(13) . .
Se6 Nd1 Nd2 O3 -130.06(8) 3_577 .
Se9B Nd1 Nd2 O3 161.44(8) 3_577 .
S9A Nd1 Nd2 O3 161.44(8) 3_577 .
Se1 Nd1 Nd2 O3 92.26(8) . .
Se3 Nd1 Nd2 O3 -49.54(8) . .
Se2 Nd1 Nd2 O3 104.62(10) . .
Nd3 Nd1 Nd2 O3 125.19(8) . .
O1 Nd1 Nd2 S9A -54.83(15) . .
O2A Nd1 Nd2 S9A -177.08(11) . .
Se6 Nd1 Nd2 S9A 58.773(19) 3_577 .
Se9B Nd1 Nd2 S9A -9.72(3) 3_577 .
S9A Nd1 Nd2 S9A -9.72(3) 3_577 .
Se1 Nd1 Nd2 S9A -78.899(19) . .
Se3 Nd1 Nd2 S9A 139.30(2) . .
Se2 Nd1 Nd2 S9A -66.54(6) . .
Nd3 Nd1 Nd2 S9A -45.969(16) . .
O1 Nd1 Nd2 Se5 35.06(15) . .
O2A Nd1 Nd2 Se5 -87.20(11) . .
Se6 Nd1 Nd2 Se5 148.657(13) 3_577 .
Se9B Nd1 Nd2 Se5 80.165(19) 3_577 .
S9A Nd1 Nd2 Se5 80.165(19) 3_577 .
Se1 Nd1 Nd2 Se5 10.985(13) . .
Se3 Nd1 Nd2 Se5 -130.820(17) . .
Se2 Nd1 Nd2 Se5 23.35(6) . .
Nd3 Nd1 Nd2 Se5 43.915(10) . .
O1 Nd1 Nd2 Se3 165.88(15) . .
O2A Nd1 Nd2 Se3 43.62(11) . .
Se6 Nd1 Nd2 Se3 -80.523(17) 3_577 .
Se9B Nd1 Nd2 Se3 -149.01(2) 3_577 .
S9A Nd1 Nd2 Se3 -149.01(2) 3_577 .
Se1 Nd1 Nd2 Se3 141.805(17) . .
Se2 Nd1 Nd2 Se3 154.17(6) . .
Nd3 Nd1 Nd2 Se3 174.736(14) . .
O1 Nd1 Nd2 Se7 -119.91(15) . 3_577
O2A Nd1 Nd2 Se7 117.83(11) . 3_577
Se6 Nd1 Nd2 Se7 -6.311(14) 3_577 3_577
Se9B Nd1 Nd2 Se7 -74.803(19) 3_577 3_577
S9A Nd1 Nd2 Se7 -74.803(19) 3_577 3_577
Se1 Nd1 Nd2 Se7 -143.983(13) . 3_577
Se3 Nd1 Nd2 Se7 74.211(16) . 3_577
Se2 Nd1 Nd2 Se7 -131.62(6) . 3_577
Nd3 Nd1 Nd2 Se7 -111.053(11) . 3_577
O1 Nd1 Nd2 Se4 -41.35(15) . .
O2A Nd1 Nd2 Se4 -163.61(11) . .
Se6 Nd1 Nd2 Se4 72.25(4) 3_577 .
Se9B Nd1 Nd2 Se4 3.76(4) 3_577 .
S9A Nd1 Nd2 Se4 3.76(4) 3_577 .
Se1 Nd1 Nd2 Se4 -65.42(4) . .
Se3 Nd1 Nd2 Se4 152.77(4) . .
Se2 Nd1 Nd2 Se4 -53.06(8) . .
Nd3 Nd1 Nd2 Se4 -32.49(4) . .
O1 Nd1 Nd2 Nd3 -8.86(15) . .
O2A Nd1 Nd2 Nd3 -131.11(11) . .
Se6 Nd1 Nd2 Nd3 104.742(11) 3_577 .
Se9B Nd1 Nd2 Nd3 36.249(16) 3_577 .
S9A Nd1 Nd2 Nd3 36.249(16) 3_577 .
Se1 Nd1 Nd2 Nd3 -32.931(10) . .
Se3 Nd1 Nd2 Nd3 -174.736(14) . .
Se2 Nd1 Nd2 Nd3 -20.57(6) . .
O2A Nd1 Nd3 O1 84.52(18) . .
Se6 Nd1 Nd3 O1 -97.70(13) 3_577 .
Se9B Nd1 Nd3 O1 -136.39(13) 3_577 .
S9A Nd1 Nd3 O1 -136.39(13) 3_577 .
Se1 Nd1 Nd3 O1 130.01(13) . .
Se3 Nd1 Nd3 O1 -3.51(13) . .
Se2 Nd1 Nd3 O1 168.28(13) . .
Nd2 Nd1 Nd3 O1 -7.73(13) . .
O1 Nd1 Nd3 O4 -113.14(16) . .
O2A Nd1 Nd3 O4 -28.63(15) . .
Se6 Nd1 Nd3 O4 149.15(9) 3_577 .
Se9B Nd1 Nd3 O4 110.46(9) 3_577 .
S9A Nd1 Nd3 O4 110.46(9) 3_577 .
Se1 Nd1 Nd3 O4 16.87(9) . .
Se3 Nd1 Nd3 O4 -116.66(9) . .
Se2 Nd1 Nd3 O4 55.14(9) . .
Nd2 Nd1 Nd3 O4 -120.88(9) . .
O1 Nd1 Nd3 Se9B 136.39(13) . 3_577
O2A Nd1 Nd3 Se9B -139.09(12) . 3_577
Se6 Nd1 Nd3 Se9B 38.69(2) 3_577 3_577
S9A Nd1 Nd3 Se9B 0.0 3_577 3_577
Se1 Nd1 Nd3 Se9B -93.59(2) . 3_577
Se3 Nd1 Nd3 Se9B 132.88(2) . 3_577
Se2 Nd1 Nd3 Se9B -55.32(2) . 3_577
Nd2 Nd1 Nd3 Se9B 128.66(2) . 3_577
O1 Nd1 Nd3 S9A 136.39(13) . 3_577
O2A Nd1 Nd3 S9A -139.09(12) . 3_577
Se6 Nd1 Nd3 S9A 38.69(2) 3_577 3_577
Se9B Nd1 Nd3 S9A 0.0 3_577 3_577
Se1 Nd1 Nd3 S9A -93.59(2) . 3_577
Se3 Nd1 Nd3 S9A 132.88(2) . 3_577
Se2 Nd1 Nd3 S9A -55.32(2) . 3_577
Nd2 Nd1 Nd3 S9A 128.66(2) . 3_577
O1 Nd1 Nd3 Se5 -35.98(13) . .
O2A Nd1 Nd3 Se5 48.54(12) . .
Se6 Nd1 Nd3 Se5 -133.683(14) 3_577 .
Se9B Nd1 Nd3 Se5 -172.37(2) 3_577 .
S9A Nd1 Nd3 Se5 -172.37(2) 3_577 .
Se1 Nd1 Nd3 Se5 94.033(14) . .
Se3 Nd1 Nd3 Se5 -39.492(15) . .
Se2 Nd1 Nd3 Se5 132.303(13) . .
Nd2 Nd1 Nd3 Se5 -43.711(9) . .
O1 Nd1 Nd3 Se6 57.13(13) . .
O2A Nd1 Nd3 Se6 141.65(12) . .
Se6 Nd1 Nd3 Se6 -40.58(3) 3_577 .
Se9B Nd1 Nd3 Se6 -79.27(3) 3_577 .
S9A Nd1 Nd3 Se6 -79.27(3) 3_577 .
Se1 Nd1 Nd3 Se6 -172.86(3) . .
Se3 Nd1 Nd3 Se6 53.62(3) . .
Se2 Nd1 Nd3 Se6 -134.59(2) . .
Nd2 Nd1 Nd3 Se6 49.40(2) . .
O1 Nd1 Nd3 Se1 -130.01(13) . .
O2A Nd1 Nd3 Se1 -45.49(12) . .
Se6 Nd1 Nd3 Se1 132.284(15) 3_577 .
Se9B Nd1 Nd3 Se1 93.59(2) 3_577 .
S9A Nd1 Nd3 Se1 93.59(2) 3_577 .
Se3 Nd1 Nd3 Se1 -133.525(16) . .
Se2 Nd1 Nd3 Se1 38.271(14) . .
Nd2 Nd1 Nd3 Se1 -137.744(12) . .
O1 Nd1 Nd3 S9A 50.31(13) . .
O2A Nd1 Nd3 S9A 134.83(12) . .
Se6 Nd1 Nd3 S9A -47.389(18) 3_577 .
Se9B Nd1 Nd3 S9A -86.08(2) 3_577 .
S9A Nd1 Nd3 S9A -86.08(2) 3_577 .
Se1 Nd1 Nd3 S9A -179.674(18) . .
Se3 Nd1 Nd3 S9A 46.801(19) . .
Se2 Nd1 Nd3 S9A -141.403(17) . .
Nd2 Nd1 Nd3 S9A 42.582(15) . .
O1 Nd1 Nd3 Se7 169.75(13) . .
O2A Nd1 Nd3 Se7 -105.73(12) . .
Se6 Nd1 Nd3 Se7 72.052(14) 3_577 .
Se9B Nd1 Nd3 Se7 33.36(2) 3_577 .
S9A Nd1 Nd3 Se7 33.36(2) 3_577 .
Se1 Nd1 Nd3 Se7 -60.233(13) . .
Se3 Nd1 Nd3 Se7 166.242(14) . .
Se2 Nd1 Nd3 Se7 -21.962(14) . .
Nd2 Nd1 Nd3 Se7 162.023(10) . .
O1 Nd1 Nd3 Nd2 7.73(13) . .
O2A Nd1 Nd3 Nd2 92.25(12) . .
Se6 Nd1 Nd3 Nd2 -89.971(12) 3_577 .
Se9B Nd1 Nd3 Nd2 -128.66(2) 3_577 .
S9A Nd1 Nd3 Nd2 -128.66(2) 3_577 .
Se1 Nd1 Nd3 Nd2 137.744(12) . .
Se3 Nd1 Nd3 Nd2 4.219(12) . .
Se2 Nd1 Nd3 Nd2 176.015(12) . .
O3 Nd2 Nd3 O1 -92.54(17) . .
S9A Nd2 Nd3 O1 123.68(13) . .
Se5 Nd2 Nd3 O1 -108.06(13) . .
Se3 Nd2 Nd3 O1 3.56(13) . .
Se7 Nd2 Nd3 O1 90.29(13) 3_577 .
Se4 Nd2 Nd3 O1 178.58(13) . .
Nd1 Nd2 Nd3 O1 7.81(13) . .
O1 Nd2 Nd3 O4 109.58(17) . .
O3 Nd2 Nd3 O4 17.04(14) . .
S9A Nd2 Nd3 O4 -126.74(11) . .
Se5 Nd2 Nd3 O4 1.52(10) . .
Se3 Nd2 Nd3 O4 113.13(10) . .
Se7 Nd2 Nd3 O4 -160.13(10) 3_577 .
Se4 Nd2 Nd3 O4 -71.84(10) . .
Nd1 Nd2 Nd3 O4 117.39(10) . .
O1 Nd2 Nd3 Se9B -44.82(13) . 3_577
O3 Nd2 Nd3 Se9B -137.36(10) . 3_577
S9A Nd2 Nd3 Se9B 78.86(3) . 3_577
Se5 Nd2 Nd3 Se9B -152.88(2) . 3_577
Se3 Nd2 Nd3 Se9B -41.27(2) . 3_577
Se7 Nd2 Nd3 Se9B 45.46(2) 3_577 3_577
Se4 Nd2 Nd3 Se9B 133.755(19) . 3_577
Nd1 Nd2 Nd3 Se9B -37.012(16) . 3_577
O1 Nd2 Nd3 S9A -44.82(13) . 3_577
O3 Nd2 Nd3 S9A -137.36(10) . 3_577
S9A Nd2 Nd3 S9A 78.86(3) . 3_577
Se5 Nd2 Nd3 S9A -152.88(2) . 3_577
Se3 Nd2 Nd3 S9A -41.27(2) . 3_577
Se7 Nd2 Nd3 S9A 45.46(2) 3_577 3_577
Se4 Nd2 Nd3 S9A 133.755(19) . 3_577
Nd1 Nd2 Nd3 S9A -37.012(16) . 3_577
O1 Nd2 Nd3 Se5 108.06(13) . .
O3 Nd2 Nd3 Se5 15.52(10) . .
S9A Nd2 Nd3 Se5 -128.26(2) . .
Se3 Nd2 Nd3 Se5 111.615(17) . .
Se7 Nd2 Nd3 Se5 -161.654(17) 3_577 .
Se4 Nd2 Nd3 Se5 -73.363(15) . .
Nd1 Nd2 Nd3 Se5 115.870(13) . .
O1 Nd2 Nd3 Se6 -167.26(13) . .
O3 Nd2 Nd3 Se6 100.20(10) . .
S9A Nd2 Nd3 Se6 -43.58(2) . .
Se5 Nd2 Nd3 Se6 84.682(15) . .
Se3 Nd2 Nd3 Se6 -163.703(14) . .
Se7 Nd2 Nd3 Se6 -76.972(14) 3_577 .
Se4 Nd2 Nd3 Se6 11.319(14) . .
Nd1 Nd2 Nd3 Se6 -159.448(11) . .
O1 Nd2 Nd3 Se1 24.25(13) . .
O3 Nd2 Nd3 Se1 -68.29(10) . .
S9A Nd2 Nd3 Se1 147.93(2) . .
Se5 Nd2 Nd3 Se1 -83.815(15) . .
Se3 Nd2 Nd3 Se1 27.801(15) . .
Se7 Nd2 Nd3 Se1 114.531(14) 3_577 .
Se4 Nd2 Nd3 Se1 -157.177(13) . .
Nd1 Nd2 Nd3 Se1 32.055(10) . .
O1 Nd2 Nd3 S9A -123.68(13) . .
O3 Nd2 Nd3 S9A 143.78(10) . .
Se5 Nd2 Nd3 S9A 128.26(2) . .
Se3 Nd2 Nd3 S9A -120.13(2) . .
Se7 Nd2 Nd3 S9A -33.39(2) 3_577 .
Se4 Nd2 Nd3 S9A 54.90(2) . .
Nd1 Nd2 Nd3 S9A -115.87(2) . .
O1 Nd2 Nd3 Se7 -56.59(14) . .
O3 Nd2 Nd3 Se7 -149.13(10) . .
S9A Nd2 Nd3 Se7 67.09(3) . .
Se5 Nd2 Nd3 Se7 -164.65(3) . .
Se3 Nd2 Nd3 Se7 -53.03(3) . .
Se7 Nd2 Nd3 Se7 33.70(3) 3_577 .
Se4 Nd2 Nd3 Se7 121.99(3) . .
Nd1 Nd2 Nd3 Se7 -48.78(3) . .
O1 Nd2 Nd3 Nd1 -7.81(13) . .
O3 Nd2 Nd3 Nd1 -100.35(10) . .
S9A Nd2 Nd3 Nd1 115.87(2) . .
Se5 Nd2 Nd3 Nd1 -115.870(13) . .
Se3 Nd2 Nd3 Nd1 -4.255(12) . .
Se7 Nd2 Nd3 Nd1 82.476(12) 3_577 .
Se4 Nd2 Nd3 Nd1 170.767(11) . .
O1 Nd1 Se1 C1 -96.88(17) . .
O2A Nd1 Se1 C1 28.50(18) . .
Se6 Nd1 Se1 C1 161.02(15) 3_577 .
Se9B Nd1 Se1 C1 -175.72(15) 3_577 .
S9A Nd1 Se1 C1 -175.72(15) 3_577 .
Se3 Nd1 Se1 C1 -43.58(16) . .
Se2 Nd1 Se1 C1 96.85(15) . .
Nd3 Nd1 Se1 C1 -121.77(15) . .
Nd2 Nd1 Se1 C1 -85.60(15) . .
O1 Nd1 Se1 Nd4 122.00(7) . .
O2A Nd1 Se1 Nd4 -112.62(8) . .
Se6 Nd1 Se1 Nd4 19.90(2) 3_577 .
Se9B Nd1 Se1 Nd4 43.158(19) 3_577 .
S9A Nd1 Se1 Nd4 43.158(19) 3_577 .
Se3 Nd1 Se1 Nd4 175.301(17) . .
Se2 Nd1 Se1 Nd4 -44.271(12) . .
Nd3 Nd1 Se1 Nd4 97.114(12) . .
Nd2 Nd1 Se1 Nd4 133.284(10) . .
O1 Nd1 Se1 Nd3 24.88(7) . .
O2A Nd1 Se1 Nd3 150.27(8) . .
Se6 Nd1 Se1 Nd3 -77.217(19) 3_577 .
Se9B Nd1 Se1 Nd3 -53.956(18) 3_577 .
S9A Nd1 Se1 Nd3 -53.956(18) 3_577 .
Se3 Nd1 Se1 Nd3 78.19(2) . .
Se2 Nd1 Se1 Nd3 -141.385(13) . .
Nd2 Nd1 Se1 Nd3 36.170(10) . .
O5 Nd4 Se1 C1 -29.7(2) . .
Se8 Nd4 Se1 C1 29.16(18) . .
Se9B Nd4 Se1 C1 -175.83(18) 3_577 .
S9A Nd4 Se1 C1 -175.83(18) 3_577 .
Se2 Nd4 Se1 C1 -85.99(18) . .
Se4 Nd4 Se1 C1 -175.63(18) 3_577 .
Se7 Nd4 Se1 C1 118.69(18) . .
O5 Nd4 Se1 Nd1 102.99(12) . .
Se8 Nd4 Se1 Nd1 161.841(18) . .
Se9B Nd4 Se1 Nd1 -43.154(19) 3_577 .
S9A Nd4 Se1 Nd1 -43.154(19) 3_577 .
Se2 Nd4 Se1 Nd1 46.688(13) . .
Se4 Nd4 Se1 Nd1 -42.95(3) 3_577 .
Se7 Nd4 Se1 Nd1 -108.636(13) . .
O5 Nd4 Se1 Nd3 -179.97(12) . .
Se8 Nd4 Se1 Nd3 -121.122(18) . .
Se9B Nd4 Se1 Nd3 33.883(19) 3_577 .
S9A Nd4 Se1 Nd3 33.883(19) 3_577 .
Se2 Nd4 Se1 Nd3 123.725(15) . .
Se4 Nd4 Se1 Nd3 34.09(3) 3_577 .
Se7 Nd4 Se1 Nd3 -31.599(13) . .
O1 Nd3 Se1 C1 91.99(17) . .
O4 Nd3 Se1 C1 -50.02(17) . .
Se9B Nd3 Se1 C1 171.88(16) 3_577 .
S9A Nd3 Se1 C1 171.88(16) 3_577 .
Se5 Nd3 Se1 C1 29.41(16) . .
Se6 Nd3 Se1 C1 -71.57(16) . .
S9A Nd3 Se1 C1 117.00(16) . .
Se7 Nd3 Se1 C1 -124.92(16) . .
Nd1 Nd3 Se1 C1 116.50(16) . .
Nd2 Nd3 Se1 C1 79.27(16) . .
O1 Nd3 Se1 Nd1 -24.51(7) . .
O4 Nd3 Se1 Nd1 -166.52(7) . .
Se9B Nd3 Se1 Nd1 55.380(18) 3_577 .
S9A Nd3 Se1 Nd1 55.380(18) 3_577 .
Se5 Nd3 Se1 Nd1 -87.088(12) . .
Se6 Nd3 Se1 Nd1 171.93(3) . .
S9A Nd3 Se1 Nd1 0.50(3) . .
Se7 Nd3 Se1 Nd1 118.574(12) . .
Nd2 Nd3 Se1 Nd1 -37.232(10) . .
O1 Nd3 Se1 Nd4 -114.46(7) . .
O4 Nd3 Se1 Nd4 103.53(7) . .
Se9B Nd3 Se1 Nd4 -34.573(19) 3_577 .
S9A Nd3 Se1 Nd4 -34.573(19) 3_577 .
Se5 Nd3 Se1 Nd4 -177.040(13) . .
Se6 Nd3 Se1 Nd4 81.98(3) . .
S9A Nd3 Se1 Nd4 -89.45(3) . .
Se7 Nd3 Se1 Nd4 28.622(12) . .
Nd1 Nd3 Se1 Nd4 -89.952(13) . .
Nd2 Nd3 Se1 Nd4 -127.185(11) . .
O5 Nd4 Se2 C7 49.11(16) . .
Se8 Nd4 Se2 C7 125.85(14) . .
Se9B Nd4 Se2 C7 -100.39(14) 3_577 .
S9A Nd4 Se2 C7 -100.39(14) 3_577 .
Se4 Nd4 Se2 C7 -28.54(14) 3_577 .
Se1 Nd4 Se2 C7 -170.02(14) . .
Se7 Nd4 Se2 C7 -126.36(14) . .
O5 Nd4 Se2 Nd1 174.70(8) . .
Se8 Nd4 Se2 Nd1 -108.558(15) . .
Se9B Nd4 Se2 Nd1 25.204(18) 3_577 .
S9A Nd4 Se2 Nd1 25.204(18) 3_577 .
Se4 Nd4 Se2 Nd1 97.055(14) 3_577 .
Se1 Nd4 Se2 Nd1 -44.432(11) . .
Se7 Nd4 Se2 Nd1 -0.77(3) . .
O1 Nd1 Se2 C7 138.00(19) . .
O2A Nd1 Se2 C7 -98.91(19) . .
Se6 Nd1 Se2 C7 20.64(16) 3_577 .
Se9B Nd1 Se2 C7 88.84(16) 3_577 .
S9A Nd1 Se2 C7 88.84(16) 3_577 .
Se1 Nd1 Se2 C7 159.83(16) . .
Se3 Nd1 Se2 C7 -64.20(16) . .
Nd3 Nd1 Se2 C7 127.93(16) . .
Nd2 Nd1 Se2 C7 146.77(16) . .
O1 Nd1 Se2 Nd4 23.69(11) . .
O2A Nd1 Se2 Nd4 146.79(10) . .
Se6 Nd1 Se2 Nd4 -93.662(14) 3_577 .
Se9B Nd1 Se2 Nd4 -25.463(18) 3_577 .
S9A Nd1 Se2 Nd4 -25.463(18) 3_577 .
Se1 Nd1 Se2 Nd4 45.528(13) . .
Se3 Nd1 Se2 Nd4 -178.506(19) . .
Nd3 Nd1 Se2 Nd4 13.628(14) . .
Nd2 Nd1 Se2 Nd4 32.47(6) . .
O1 Nd2 Se3 C13 -85.63(18) . .
O3 Nd2 Se3 C13 44.76(18) . .
S9A Nd2 Se3 C13 -144.98(17) . .
Se5 Nd2 Se3 C13 -33.19(17) . .
Se7 Nd2 Se3 C13 164.20(17) 3_577 .
Se4 Nd2 Se3 C13 100.61(17) . .
Nd3 Nd2 Se3 C13 -87.55(17) . .
Nd1 Nd2 Se3 C13 -92.30(17) . .
O1 Nd2 Se3 Nd1 6.67(7) . .
O3 Nd2 Se3 Nd1 137.06(7) . .
S9A Nd2 Se3 Nd1 -52.68(2) . .
Se5 Nd2 Se3 Nd1 59.106(16) . .
Se7 Nd2 Se3 Nd1 -103.497(13) 3_577 .
Se4 Nd2 Se3 Nd1 -167.091(19) . .
Nd3 Nd2 Se3 Nd1 4.754(13) . .
O1 Nd1 Se3 C13 88.86(19) . .
O2A Nd1 Se3 C13 -43.4(2) . .
Se6 Nd1 Se3 C13 -161.81(18) 3_577 .
Se9B Nd1 Se3 C13 141.28(18) 3_577 .
S9A Nd1 Se3 C13 141.28(18) 3_577 .
Se1 Nd1 Se3 C13 35.78(18) . .
Se2 Nd1 Se3 C13 -77.22(18) . .
Nd3 Nd1 Se3 C13 90.79(18) . .
Nd2 Nd1 Se3 C13 95.57(18) . .
O1 Nd1 Se3 Nd2 -6.71(7) . .
O2A Nd1 Se3 Nd2 -138.95(10) . .
Se6 Nd1 Se3 Nd2 102.626(14) 3_577 .
Se9B Nd1 Se3 Nd2 45.71(3) 3_577 .
S9A Nd1 Se3 Nd2 45.71(3) 3_577 .
Se1 Nd1 Se3 Nd2 -59.79(2) . .
Se2 Nd1 Se3 Nd2 -172.790(18) . .
Nd3 Nd1 Se3 Nd2 -4.782(13) . .
O1 Nd2 Se4 C19 172.93(17) . .
O3 Nd2 Se4 C19 40.63(15) . .
S9A Nd2 Se4 C19 -145.51(13) . .
Se5 Nd2 Se4 C19 124.23(13) . .
Se3 Nd2 Se4 C19 -16.27(13) . .
Se7 Nd2 Se4 C19 -79.29(13) 3_577 .
Nd3 Nd2 Se4 C19 171.80(13) . .
Nd1 Nd2 Se4 C19 -159.49(13) . .
O1 Nd2 Se4 Nd4 -78.85(11) . 3_577
O3 Nd2 Se4 Nd4 148.85(7) . 3_577
S9A Nd2 Se4 Nd4 -37.287(18) . 3_577
Se5 Nd2 Se4 Nd4 -127.550(13) . 3_577
Se3 Nd2 Se4 Nd4 91.95(2) . 3_577
Se7 Nd2 Se4 Nd4 28.935(12) 3_577 3_577
Nd3 Nd2 Se4 Nd4 -79.975(11) . 3_577
Nd1 Nd2 Se4 Nd4 -51.27(4) . 3_577
O1 Nd2 Se5 C25 -162.9(2) . .
O3 Nd2 Se5 C25 61.9(2) . .
S9A Nd2 Se5 C25 -90.7(2) . .
Se3 Nd2 Se5 C25 138.9(2) . .
Se7 Nd2 Se5 C25 -85.3(2) 3_577 .
Se4 Nd2 Se5 C25 -16.1(2) . .
Nd3 Nd2 Se5 C25 -129.6(2) . .
Nd1 Nd2 Se5 C25 -180.0(2) . .
O1 Nd2 Se5 Nd3 -33.36(8) . .
O3 Nd2 Se5 Nd3 -168.56(7) . .
S9A Nd2 Se5 Nd3 38.857(18) . .
Se3 Nd2 Se5 Nd3 -91.555(15) . .
Se7 Nd2 Se5 Nd3 44.26(3) 3_577 .
Se4 Nd2 Se5 Nd3 113.451(12) . .
Nd1 Nd2 Se5 Nd3 -50.411(9) . .
O1 Nd3 Se5 C25 159.72(19) . .
O4 Nd3 Se5 C25 -51.82(19) . .
Se9B Nd3 Se5 C25 170.54(18) 3_577 .
S9A Nd3 Se5 C25 170.54(18) 3_577 .
Se6 Nd3 Se5 C25 26.57(18) . .
Se1 Nd3 Se5 C25 -130.05(18) . .
S9A Nd3 Se5 C25 90.73(18) . .
Se7 Nd3 Se5 C25 -66.17(18) . .
Nd1 Nd3 Se5 C25 179.44(18) . .
Nd2 Nd3 Se5 C25 127.00(18) . .
O1 Nd3 Se5 Nd2 32.72(8) . .
O4 Nd3 Se5 Nd2 -178.83(8) . .
Se9B Nd3 Se5 Nd2 43.54(3) 3_577 .
S9A Nd3 Se5 Nd2 43.54(3) 3_577 .
Se6 Nd3 Se5 Nd2 -100.431(13) . .
Se1 Nd3 Se5 Nd2 102.951(13) . .
S9A Nd3 Se5 Nd2 -36.269(18) . .
Se7 Nd3 Se5 Nd2 166.83(3) . .
Nd1 Nd3 Se5 Nd2 52.437(10) . .
O1 Nd3 Se6 C31 -179.50(18) . .
O4 Nd3 Se6 C31 -41.54(18) . .
Se9B Nd3 Se6 C31 85.46(16) 3_577 .
S9A Nd3 Se6 C31 85.46(16) 3_577 .
Se5 Nd3 Se6 C31 -121.18(16) . .
Se1 Nd3 Se6 C31 -19.99(17) . .
S9A Nd3 Se6 C31 153.82(16) . .
Se7 Nd3 Se6 C31 31.00(16) . .
Nd1 Nd3 Se6 C31 146.26(16) . .
Nd2 Nd3 Se6 C31 -171.09(16) . .
O1 Nd3 Se6 Nd1 72.82(9) . 3_577
O4 Nd3 Se6 Nd1 -149.22(7) . 3_577
Se9B Nd3 Se6 Nd1 -22.21(2) 3_577 3_577
S9A Nd3 Se6 Nd1 -22.21(2) 3_577 3_577
Se5 Nd3 Se6 Nd1 131.144(14) . 3_577
Se1 Nd3 Se6 Nd1 -127.66(3) . 3_577
S9A Nd3 Se6 Nd1 46.146(17) . 3_577
Se7 Nd3 Se6 Nd1 -76.670(13) . 3_577
Nd1 Nd3 Se6 Nd1 38.59(3) . 3_577
Nd2 Nd3 Se6 Nd1 81.233(12) . 3_577
O5 Nd4 Se7 C37 27.1(2) . .
Se8 Nd4 Se7 C37 -45.57(16) . .
Se9B Nd4 Se7 C37 171.84(16) 3_577 .
S9A Nd4 Se7 C37 171.84(16) 3_577 .
Se2 Nd4 Se7 C37 -159.35(16) . .
Se4 Nd4 Se7 C37 95.15(16) 3_577 .
Se1 Nd4 Se7 C37 -118.35(16) . .
O5 Nd4 Se7 Nd2 -96.70(12) . 3_577
Se8 Nd4 Se7 Nd2 -169.375(13) . 3_577
Se9B Nd4 Se7 Nd2 48.029(18) 3_577 3_577
S9A Nd4 Se7 Nd2 48.029(18) 3_577 3_577
Se2 Nd4 Se7 Nd2 76.84(2) . 3_577
Se4 Nd4 Se7 Nd2 -28.659(11) 3_577 3_577
Se1 Nd4 Se7 Nd2 117.838(13) . 3_577
O5 Nd4 Se7 Nd3 173.37(12) . .
Se8 Nd4 Se7 Nd3 100.696(14) . .
Se9B Nd4 Se7 Nd3 -41.900(17) 3_577 .
S9A Nd4 Se7 Nd3 -41.900(17) 3_577 .
Se2 Nd4 Se7 Nd3 -13.09(3) . .
Se4 Nd4 Se7 Nd3 -118.588(12) 3_577 .
Se1 Nd4 Se7 Nd3 27.909(11) . .
O1 Nd3 Se7 C37 154.9(3) . .
O4 Nd3 Se7 C37 21.3(3) . .
Se9B Nd3 Se7 C37 176.8(3) 3_577 .
S9A Nd3 Se7 C37 176.8(3) 3_577 .
Se5 Nd3 Se7 C37 36.1(3) . .
Se6 Nd3 Se7 C37 -57.2(3) . .
Se1 Nd3 Se7 C37 103.9(3) . .
S9A Nd3 Se7 C37 -117.3(3) . .
Nd1 Nd3 Se7 C37 147.7(3) . .
Nd2 Nd3 Se7 C37 -169.7(3) . .
O1 Nd3 Se7 Nd2 -66.78(9) . 3_577
O4 Nd3 Se7 Nd2 159.60(8) . 3_577
Se9B Nd3 Se7 Nd2 -44.90(2) 3_577 3_577
S9A Nd3 Se7 Nd2 -44.90(2) 3_577 3_577
Se5 Nd3 Se7 Nd2 174.41(3) . 3_577
Se6 Nd3 Se7 Nd2 81.136(13) . 3_577
Se1 Nd3 Se7 Nd2 -117.781(13) . 3_577
S9A Nd3 Se7 Nd2 21.02(2) . 3_577
Nd1 Nd3 Se7 Nd2 -73.944(12) . 3_577
Nd2 Nd3 Se7 Nd2 -31.39(3) . 3_577
O1 Nd3 Se7 Nd4 22.99(9) . .
O4 Nd3 Se7 Nd4 -110.62(8) . .
Se9B Nd3 Se7 Nd4 44.877(19) 3_577 .
S9A Nd3 Se7 Nd4 44.877(19) 3_577 .
Se5 Nd3 Se7 Nd4 -95.82(3) . .
Se6 Nd3 Se7 Nd4 170.911(12) . .
Se1 Nd3 Se7 Nd4 -28.007(11) . .
S9A Nd3 Se7 Nd4 110.80(2) . .
Nd1 Nd3 Se7 Nd4 15.830(11) . .
Nd2 Nd3 Se7 Nd4 58.38(3) . .
O5 Nd4 Se8 C43 -41.82(18) . .
Se9B Nd4 Se8 C43 145.62(16) 3_577 .
S9A Nd4 Se8 C43 145.62(16) 3_577 .
Se2 Nd4 Se8 C43 -118.73(16) . .
Se4 Nd4 Se8 C43 21.45(17) 3_577 .
Se1 Nd4 Se8 C43 178.70(16) . .
Se7 Nd4 Se8 C43 96.09(16) . .
O1 Nd2 S9A Nd3 -64.19(8) . 3_577
O3 Nd2 S9A Nd3 155.82(15) . 3_577
Se5 Nd2 S9A Nd3 -128.50(2) . 3_577
Se3 Nd2 S9A Nd3 -3.40(3) . 3_577
Se7 Nd2 S9A Nd3 54.016(19) 3_577 3_577
Se4 Nd2 S9A Nd3 143.02(2) . 3_577
Nd3 Nd2 S9A Nd3 -91.29(2) . 3_577
Nd1 Nd2 S9A Nd3 -40.94(2) . 3_577
O1 Nd2 S9A Nd1 47.15(19) . 3_577
O3 Nd2 S9A Nd1 -92.8(2) . 3_577
Se5 Nd2 S9A Nd1 -17.16(18) . 3_577
Se3 Nd2 S9A Nd1 107.94(17) . 3_577
Se7 Nd2 S9A Nd1 165.36(18) 3_577 3_577
Se4 Nd2 S9A Nd1 -105.64(18) . 3_577
Nd3 Nd2 S9A Nd1 20.05(17) . 3_577
Nd1 Nd2 S9A Nd1 70.40(18) . 3_577
O1 Nd2 S9A Nd4 -168.89(8) . 3_577
O3 Nd2 S9A Nd4 51.13(16) . 3_577
Se5 Nd2 S9A Nd4 126.80(2) . 3_577
Se3 Nd2 S9A Nd4 -108.10(2) . 3_577
Se7 Nd2 S9A Nd4 -50.678(17) 3_577 3_577
Se4 Nd2 S9A Nd4 38.329(17) . 3_577
Nd3 Nd2 S9A Nd4 164.01(3) . 3_577
Nd1 Nd2 S9A Nd4 -145.633(18) . 3_577
O1 Nd2 S9A Nd3 27.10(8) . .
O3 Nd2 S9A Nd3 -112.89(15) . .
Se5 Nd2 S9A Nd3 -37.210(15) . .
Se3 Nd2 S9A Nd3 87.89(2) . .
Se7 Nd2 S9A Nd3 145.31(2) 3_577 .
Se4 Nd2 S9A Nd3 -125.685(18) . .
Nd1 Nd2 S9A Nd3 50.353(13) . .
O1 Nd3 S9A Nd3 75.22(7) . 3_577
O4 Nd3 S9A Nd3 -150.63(12) . 3_577
Se9B Nd3 S9A Nd3 0.0 3_577 3_577
S9A Nd3 S9A Nd3 0.0 3_577 3_577
Se5 Nd3 S9A Nd3 139.59(2) . 3_577
Se6 Nd3 S9A Nd3 -126.60(2) . 3_577
Se1 Nd3 S9A Nd3 49.57(3) . 3_577
Se7 Nd3 S9A Nd3 -52.52(3) . 3_577
Nd1 Nd3 S9A Nd3 49.958(17) . 3_577
Nd2 Nd3 S9A Nd3 102.41(3) . 3_577
O1 Nd3 S9A Nd2 -27.19(7) . .
O4 Nd3 S9A Nd2 106.96(12) . .
Se9B Nd3 S9A Nd2 -102.41(3) 3_577 .
S9A Nd3 S9A Nd2 -102.41(3) 3_577 .
Se5 Nd3 S9A Nd2 37.178(16) . .
Se6 Nd3 S9A Nd2 130.99(2) . .
Se1 Nd3 S9A Nd2 -52.84(3) . .
Se7 Nd3 S9A Nd2 -154.927(13) . .
Nd1 Nd3 S9A Nd2 -52.454(14) . .
O1 Nd3 S9A Nd1 156.33(8) . 3_577
O4 Nd3 S9A Nd1 -69.52(12) . 3_577
Se9B Nd3 S9A Nd1 81.10(2) 3_577 3_577
S9A Nd3 S9A Nd1 81.10(2) 3_577 3_577
Se5 Nd3 S9A Nd1 -139.31(2) . 3_577
Se6 Nd3 S9A Nd1 -45.496(16) . 3_577
Se1 Nd3 S9A Nd1 130.67(2) . 3_577
Se7 Nd3 S9A Nd1 28.59(3) . 3_577
Nd1 Nd3 S9A Nd1 131.060(17) . 3_577
Nd2 Nd3 S9A Nd1 -176.49(3) . 3_577
O1 Nd3 S9A Nd4 -91.44(12) . 3_577
O4 Nd3 S9A Nd4 42.71(16) . 3_577
Se9B Nd3 S9A Nd4 -166.67(11) 3_577 3_577
S9A Nd3 S9A Nd4 -166.67(11) 3_577 3_577
Se5 Nd3 S9A Nd4 -27.08(10) . 3_577
Se6 Nd3 S9A Nd4 66.74(10) . 3_577
Se1 Nd3 S9A Nd4 -117.09(9) . 3_577
Se7 Nd3 S9A Nd4 140.82(9) . 3_577
Nd1 Nd3 S9A Nd4 -116.71(10) . 3_577
Nd2 Nd3 S9A Nd4 -64.25(9) . 3_577
O2A Nd1 O1 Nd2 71.96(19) . .
Se6 Nd1 O1 Nd2 -72.74(14) 3_577 .
Se9B Nd1 O1 Nd2 -132.91(15) 3_577 .
S9A Nd1 O1 Nd2 -132.91(15) 3_577 .
Se1 Nd1 O1 Nd2 155.64(15) . .
Se3 Nd1 O1 Nd2 10.99(12) . .
Se2 Nd1 O1 Nd2 176.52(5) . .
Nd3 Nd1 O1 Nd2 -165.6(2) . .
O2A Nd1 O1 Nd3 -122.45(15) . .
Se6 Nd1 O1 Nd3 92.85(11) 3_577 .
Se9B Nd1 O1 Nd3 32.68(10) 3_577 .
S9A Nd1 O1 Nd3 32.68(10) 3_577 .
Se1 Nd1 O1 Nd3 -38.77(10) . .
Se3 Nd1 O1 Nd3 176.58(13) . .
Se2 Nd1 O1 Nd3 -17.9(2) . .
Nd2 Nd1 O1 Nd3 165.6(2) . .
O3 Nd2 O1 Nd1 -80.47(18) . .
S9A Nd2 O1 Nd1 121.67(15) . .
Se5 Nd2 O1 Nd1 -140.85(16) . .
Se3 Nd2 O1 Nd1 -11.06(12) . .
Se7 Nd2 O1 Nd1 64.80(14) 3_577 .
Se4 Nd2 O1 Nd1 163.43(6) . .
Nd3 Nd2 O1 Nd1 165.5(2) . .
O3 Nd2 O1 Nd3 114.05(14) . .
S9A Nd2 O1 Nd3 -43.81(10) . .
Se5 Nd2 O1 Nd3 53.67(10) . .
Se3 Nd2 O1 Nd3 -176.54(13) . .
Se7 Nd2 O1 Nd3 -100.68(11) 3_577 .
Se4 Nd2 O1 Nd3 -2.06(19) . .
Nd1 Nd2 O1 Nd3 -165.5(2) . .
O4 Nd3 O1 Nd1 94.32(16) . .
Se9B Nd3 O1 Nd1 -33.17(10) 3_577 .
S9A Nd3 O1 Nd1 -33.17(10) 3_577 .
Se5 Nd3 O1 Nd1 139.48(14) . .
Se6 Nd3 O1 Nd1 -150.36(7) . .
Se1 Nd3 O1 Nd1 38.12(10) . .
S9A Nd3 O1 Nd1 -124.75(13) . .
Se7 Nd3 O1 Nd1 -13.60(17) . .
Nd2 Nd3 O1 Nd1 -166.7(2) . .
O4 Nd3 O1 Nd2 -99.01(16) . .
Se9B Nd3 O1 Nd2 133.50(13) 3_577 .
S9A Nd3 O1 Nd2 133.50(13) 3_577 .
Se5 Nd3 O1 Nd2 -53.85(10) . .
Se6 Nd3 O1 Nd2 16.31(17) . .
Se1 Nd3 O1 Nd2 -155.21(13) . .
S9A Nd3 O1 Nd2 41.93(10) . .
Se7 Nd3 O1 Nd2 153.07(7) . .
Nd1 Nd3 O1 Nd2 166.7(2) . .
O1 Nd2 O3 C56 -71.5(4) . .
S9A Nd2 O3 C56 58.4(4) . .
Se5 Nd2 O3 C56 -18.8(3) . .
Se3 Nd2 O3 C56 -138.7(3) . .
Se7 Nd2 O3 C56 146.2(3) 3_577 .
Se4 Nd2 O3 C56 71.0(3) . .
Nd3 Nd2 O3 C56 -30.8(4) . .
Nd1 Nd2 O3 C56 -102.6(3) . .
O1 Nd2 O3 C53 107.3(3) . .
S9A Nd2 O3 C53 -122.7(3) . .
Se5 Nd2 O3 C53 160.0(3) . .
Se3 Nd2 O3 C53 40.2(3) . .
Se7 Nd2 O3 C53 -35.0(3) 3_577 .
Se4 Nd2 O3 C53 -110.1(3) . .
Nd3 Nd2 O3 C53 148.0(3) . .
Nd1 Nd2 O3 C53 76.2(3) . .
O1 Nd3 O4 C60 83.3(4) . .
Se9B Nd3 O4 C60 -171.2(3) 3_577 .
S9A Nd3 O4 C60 -171.2(3) 3_577 .
Se5 Nd3 O4 C60 42.7(3) . .
Se6 Nd3 O4 C60 -51.1(3) . .
Se1 Nd3 O4 C60 137.6(3) . .
S9A Nd3 O4 C60 -29.2(4) . .
Se7 Nd3 O4 C60 -144.3(4) . .
Nd1 Nd3 O4 C60 124.4(3) . .
Nd2 Nd3 O4 C60 41.5(4) . .
O1 Nd3 O4 C57 -88.3(4) . .
Se9B Nd3 O4 C57 17.2(4) 3_577 .
S9A Nd3 O4 C57 17.2(4) 3_577 .
Se5 Nd3 O4 C57 -128.9(4) . .
Se6 Nd3 O4 C57 137.3(4) . .
Se1 Nd3 O4 C57 -34.0(4) . .
S9A Nd3 O4 C57 159.2(4) . .
Se7 Nd3 O4 C57 44.1(4) . .
Nd1 Nd3 O4 C57 -47.3(4) . .
Nd2 Nd3 O4 C57 -130.1(4) . .
Se8 Nd4 O5 C61 138.4(5) . .
Se9B Nd4 O5 C61 -51.0(5) 3_577 .
S9A Nd4 O5 C61 -51.0(5) 3_577 .
Se2 Nd4 O5 C61 -113.0(5) . .
Se4 Nd4 O5 C61 -5.5(5) 3_577 .
Se1 Nd4 O5 C61 -165.6(4) . .
Se7 Nd4 O5 C61 63.1(5) . .
Se8 Nd4 O5 C64 -48.1(4) . .
Se9B Nd4 O5 C64 122.5(3) 3_577 .
S9A Nd4 O5 C64 122.5(3) 3_577 .
Se2 Nd4 O5 C64 60.4(4) . .
Se4 Nd4 O5 C64 167.9(4) 3_577 .
Se1 Nd4 O5 C64 7.8(4) . .
Se7 Nd4 O5 C64 -123.5(3) . .
Nd1 Se1 C1 C2 -100.3(4) . .
Nd4 Se1 C1 C2 22.4(5) . .
Nd3 Se1 C1 C2 166.1(3) . .
Nd1 Se1 C1 C6 78.6(4) . .
Nd4 Se1 C1 C6 -158.7(3) . .
Nd3 Se1 C1 C6 -15.0(5) . .
C6 C1 C2 C3 1.0(7) . .
Se1 C1 C2 C3 179.8(4) . .
C1 C2 C3 C4 -0.6(8) . .
C2 C3 C4 C5 0.5(8) . .
C3 C4 C5 C6 -0.8(9) . .
C4 C5 C6 C1 1.2(9) . .
C2 C1 C6 C5 -1.2(8) . .
Se1 C1 C6 C5 179.8(4) . .
Nd4 Se2 C7 C8 41.3(4) . .
Nd1 Se2 C7 C8 -63.0(4) . .
Nd4 Se2 C7 C12 -134.7(3) . .
Nd1 Se2 C7 C12 121.0(3) . .
C12 C7 C8 C9 3.1(8) . .
Se2 C7 C8 C9 -172.9(4) . .
C7 C8 C9 C10 -0.7(9) . .
C8 C9 C10 C11 -1.8(9) . .
C9 C10 C11 C12 1.9(8) . .
C8 C7 C12 C11 -3.0(7) . .
Se2 C7 C12 C11 173.1(4) . .
C10 C11 C12 C7 0.5(8) . .
Nd2 Se3 C13 C14 35.0(5) . .
Nd1 Se3 C13 C14 -45.8(5) . .
Nd2 Se3 C13 C18 -145.8(4) . .
Nd1 Se3 C13 C18 133.3(4) . .
C18 C13 C14 C15 -1.1(8) . .
Se3 C13 C14 C15 178.0(4) . .
C13 C14 C15 C16 -0.4(9) . .
C14 C15 C16 C17 3.4(11) . .
C15 C16 C17 C18 -4.6(12) . .
C16 C17 C18 C13 2.9(12) . .
C14 C13 C18 C17 0.0(10) . .
Se3 C13 C18 C17 -179.2(6) . .
Nd4 Se4 C19 C20 -36.3(4) 3_577 .
Nd2 Se4 C19 C20 57.8(4) . .
Nd4 Se4 C19 C24 143.3(3) 3_577 .
Nd2 Se4 C19 C24 -122.6(4) . .
C24 C19 C20 C21 0.3(7) . .
Se4 C19 C20 C21 180.0(3) . .
C19 C20 C21 C22 -0.1(7) . .
C20 C21 C22 C23 0.3(7) . .
C21 C22 C23 C24 -0.7(8) . .
C22 C23 C24 C19 1.0(8) . .
C20 C19 C24 C23 -0.8(7) . .
Se4 C19 C24 C23 179.6(4) . .
Nd2 Se5 C25 C30 49.8(5) . .
Nd3 Se5 C25 C30 -55.9(5) . .
Nd2 Se5 C25 C26 -130.6(4) . .
Nd3 Se5 C25 C26 123.7(4) . .
C30 C25 C26 C27 2.2(9) . .
Se5 C25 C26 C27 -177.4(6) . .
C25 C26 C27 C28 -3.4(12) . .
C26 C27 C28 C29 1.9(14) . .
C27 C28 C29 C30 0.8(15) . .
C26 C25 C30 C29 0.3(9) . .
Se5 C25 C30 C29 179.9(6) . .
C28 C29 C30 C25 -1.9(13) . .
Nd1 Se6 C31 C32 99.4(4) 3_577 .
Nd3 Se6 C31 C32 -3.8(5) . .
Nd1 Se6 C31 C36 -78.4(4) 3_577 .
Nd3 Se6 C31 C36 178.3(3) . .
C36 C31 C32 C33 0.4(8) . .
Se6 C31 C32 C33 -177.4(4) . .
C31 C32 C33 C34 1.7(9) . .
C32 C33 C34 C35 -3.1(10) . .
C33 C34 C35 C36 2.3(10) . .
C34 C35 C36 C31 -0.2(9) . .
C32 C31 C36 C35 -1.2(8) . .
Se6 C31 C36 C35 176.8(4) . .
Nd2 Se7 C37 C38 154.2(4) 3_577 .
Nd4 Se7 C37 C38 47.7(5) . .
Nd3 Se7 C37 C38 -75.9(5) . .
Nd2 Se7 C37 C42 -22.9(5) 3_577 .
Nd4 Se7 C37 C42 -129.4(4) . .
Nd3 Se7 C37 C42 107.0(4) . .
C42 C37 C38 C39 -2.0(9) . .
Se7 C37 C38 C39 -179.1(5) . .
C37 C38 C39 C40 1.8(10) . .
C38 C39 C40 C41 -0.3(11) . .
C39 C40 C41 C42 -1.0(10) . .
C38 C37 C42 C41 0.7(8) . .
Se7 C37 C42 C41 177.8(4) . .
C40 C41 C42 C37 0.8(9) . .
Nd4 Se8 C43 C48 -27.0(5) . .
Nd4 Se8 C43 C44 154.4(4) . .
C48 C43 C44 C45 0.3(8) . .
Se8 C43 C44 C45 179.0(4) . .
C43 C44 C45 C46 -0.1(9) . .
C44 C45 C46 C47 0.3(9) . .
C45 C46 C47 C48 -0.8(9) . .
C46 C47 C48 C43 1.1(9) . .
C44 C43 C48 C47 -0.8(8) . .
Se8 C43 C48 C47 -179.5(4) . .
O1 Nd1 O2A C49A -128.3(12) . .
Se6 Nd1 O2A C49A 13.7(12) 3_577 .
Se9B Nd1 O2A C49A 106.4(12) 3_577 .
S9A Nd1 O2A C49A 106.4(12) 3_577 .
Se1 Nd1 O2A C49A 156.8(12) . .
Se3 Nd1 O2A C49A -66.8(12) . .
Se2 Nd1 O2A C49A 90.9(12) . .
Nd3 Nd1 O2A C49A -168.7(12) . .
Nd2 Nd1 O2A C49A -99.6(12) . .
O1 Nd1 O2A C52A 70.8(15) . .
Se6 Nd1 O2A C52A -147.2(15) 3_577 .
Se9B Nd1 O2A C52A -54.5(15) 3_577 .
S9A Nd1 O2A C52A -54.5(15) 3_577 .
Se1 Nd1 O2A C52A -4.1(15) . .
Se3 Nd1 O2A C52A 132.3(15) . .
Se2 Nd1 O2A C52A -70.0(15) . .
Nd3 Nd1 O2A C52A 30.4(15) . .
Nd2 Nd1 O2A C52A 99.5(15) . .
C52A O2A C49A C50A -16(2) . .
Nd1 O2A C49A C50A 177.8(10) . .
O2A C49A C50A C51A 34.1(18) . .
C49A C50A C51A C52A -38.5(16) . .
C49A O2A C52A C51A -9(2) . .
Nd1 O2A C52A C51A 153.1(7) . .
C50A C51A C52A O2A 30.5(19) . .
C49B C50B C51B C52B 37.4(17) . .
C56 O3 C53 C54 23.9(5) . .
Nd2 O3 C53 C54 -155.0(3) . .
O3 C53 C54 C55 -39.4(5) . .
C53 C54 C55 C56 39.5(5) . .
C53 O3 C56 C55 1.3(5) . .
Nd2 O3 C56 C55 -179.7(3) . .
C54 C55 C56 O3 -25.9(5) . .
C60 O4 C57 C58 -38.6(5) . .
Nd3 O4 C57 C58 134.2(4) . .
O4 C57 C58 C59 17.9(6) . .
C57 C58 C59 C60 8.3(6) . .
C57 O4 C60 C59 43.6(5) . .
Nd3 O4 C60 C59 -129.9(4) . .
C58 C59 C60 O4 -31.4(6) . .
C64 O5 C61 C62 -39.4(5) . .
Nd4 O5 C61 C62 134.7(4) . .
O5 C61 C62 C63 24.8(6) . .
C61 C62 C63 C64 -1.4(6) . .
C61 O5 C64 C63 38.7(5) . .
Nd4 O5 C64 C63 -136.6(3) . .
C62 C63 C64 O5 -22.2(6) . .
C68 O6 C65 C66 -28.4(10) . .
O6 C65 C66 C67 34.7(10) . .
C65 C66 C67 C68 -29.0(12) . .
C66 C67 C68 O6 11.9(13) . .
C65 O6 C68 C67 9.5(12) . .
C72 O7 C69 C70 23(2) . .
O7 C69 C70 C71 -7(2) . .
C69 C70 C71 C72 -13(2) . .
C70 C71 C72 O7 26(2) . .
C69 O7 C72 C71 -30.3(19) . .
