#------------------------------------------------------------------------------
#$Date: 2020-10-04 06:23:51 +0300 (Sun, 04 Oct 2020) $
#$Revision: 257106 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/35/07/4350770.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_4350770
loop_
_publ_author_name
'Li, Lei-Lei'
'Cao, Gao-Juan'
'Zhao, Jun-Wei'
'He, Huan'
'Yang, Bai-Feng'
'Yang, Guo-Yu'
_publ_section_title
;
 Correction to Lanthanide Germanate Cluster Organic Frameworks Based on
 {Ln₈Ge₁₂} Clusters: From One-Dimensional Chains to
 Two- Dimensional Layers and Three-Dimensional Frameworks.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3340
_journal_page_last               3340
_journal_paper_doi               10.1021/acs.inorgchem.9b03158
_journal_volume                  59
_journal_year                    2020
_chemical_formula_sum            'C62 H110 Ge12 N4 Nd10 O84'
_chemical_formula_weight         4569.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 107.165(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.3338(8)
_cell_length_b                   18.9402(6)
_cell_length_c                   19.5016(8)
_cell_measurement_reflns_used    13878
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4797
_cell_measurement_theta_min      3.0534
_cell_volume                     5764.4(4)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0356
_diffrn_reflns_av_unetI/netI     0.0389
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            44486
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.503
_diffrn_reflns_theta_min         2.151
_exptl_absorpt_coefficient_mu    7.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.632
_exptl_crystal_description       block
_exptl_crystal_F_000             4332
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.130
_refine_diff_density_max         2.865
_refine_diff_density_min         -1.789
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         13178
_refine_ls_number_restraints     2058
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0598P)²+52.0709P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1223
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11698
_reflns_number_total             13178
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic9b03158_si_001.cif
_cod_data_source_block           11
_cod_depositor_comments
;Adding full bibliography for 4350770--4350771.cif.

 Adding full bibliography for 4350770--4350771.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4350770
_shelx_shelxl_version_number     2018/3
_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_min   0.286
_shelx_estimated_absorpt_t_max   0.438
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ge1 Ge 0.25714(5) 0.59016(4) 0.84924(4) 0.01868(15) Uani 1 1 d . . .
Ge2 Ge 0.22086(5) 0.46513(4) 0.95046(4) 0.01866(15) Uani 1 1 d . . .
Ge3 Ge 0.32036(5) 0.31664(4) 0.96889(4) 0.01947(15) Uani 1 1 d . . .
Ge4 Ge 0.46817(5) 0.28772(4) 0.89081(4) 0.01939(15) Uani 1 1 d . . .
Ge5 Ge 0.50667(5) 0.41023(4) 0.78943(4) 0.01853(15) Uani 1 1 d . . .
Ge6 Ge 0.40234(5) 0.55909(4) 0.76998(4) 0.01917(15) Uani 1 1 d . . .
Nd1 Nd 0.29931(3) 0.40619(2) 0.80643(2) 0.02257(10) Uani 1 1 d . . .
Nd2 Nd 0.74217(3) 0.64783(2) 0.74655(2) 0.02214(9) Uani 1 1 d . . .
Nd3 Nd 0.55091(2) 0.30865(2) 1.08106(2) 0.01872(9) Uani 1 1 d . . .
Nd4 Nd 0.61766(2) 0.56991(2) 0.88044(2) 0.01655(9) Uani 1 1 d . . .
Nd5 Nd 0.67731(2) 0.38260(2) 0.95194(2) 0.01723(9) Uani 1 1 d . . .
O1 O 0.2102(4) 0.5102(3) 0.8682(3) 0.0308(12) Uani 1 1 d . U .
O2 O 0.3304(3) 0.6217(3) 0.9271(3) 0.0229(10) Uani 1 1 d . U .
O3 O 0.3006(3) 0.5460(3) 0.7870(3) 0.0265(11) Uani 1 1 d . U .
O4 O 0.2766(5) 0.8006(4) 0.7438(4) 0.0487(17) Uani 1 1 d . U .
O5 O 0.3348(4) 0.7044(3) 0.8032(3) 0.0361(13) Uani 1 1 d . U .
O6 O 0.2515(3) 0.3835(3) 0.9168(3) 0.0235(10) Uani 1 1 d . U .
O7 O 0.3101(3) 0.4953(3) 1.0169(3) 0.0219(10) Uani 1 1 d . U .
O8 O 0.1682(4) 0.6077(3) 0.9791(3) 0.0366(13) Uani 1 1 d . U .
O9 O 0.0401(4) 0.6474(4) 0.9170(4) 0.0483(17) Uani 1 1 d . U .
O10 O 0.3612(3) 0.2990(3) 0.8945(3) 0.0263(11) Uani 1 1 d . U .
O11 O 0.4082(3) 0.3522(3) 1.0338(3) 0.0219(10) Uani 1 1 d . U .
O12 O 0.2522(3) 0.3586(3) 1.0589(3) 0.0266(11) Uani 1 1 d . U .
O13 O 0.1960(4) 0.3008(3) 1.1334(3) 0.0329(13) Uani 1 1 d . U .
O14 O 0.4428(3) 0.3425(3) 0.8112(3) 0.0221(10) Uani 1 1 d . U .
O15 O 0.5476(3) 0.3288(3) 0.9589(3) 0.0217(10) Uani 1 1 d . U .
O16 O 0.4731(5) 0.2080(3) 1.0080(4) 0.0460(15) Uani 1 1 d . U .
O17 O 0.4185(12) 0.0983(10) 1.0094(10) 0.059(3) Uani 0.5 1 d . U P
O17' O 0.4690(15) 0.0928(11) 1.0197(11) 0.075(4) Uani 0.5 1 d . U P
O18 O 0.5722(3) 0.4509(3) 0.8651(3) 0.0224(10) Uani 1 1 d . U .
O19 O 0.4115(3) 0.4654(3) 0.7616(3) 0.0224(10) Uani 1 1 d . U .
O20 O 0.6206(3) 0.3178(3) 0.8349(3) 0.0281(11) Uani 1 1 d . U .
O21 O 0.6963(4) 0.2527(3) 0.7824(3) 0.0371(13) Uani 1 1 d . U .
O22 O 0.4695(3) 0.5923(3) 0.8504(3) 0.0223(10) Uani 1 1 d . U .
O23 O 0.6012(4) 0.5982(3) 0.6680(3) 0.0354(12) Uani 1 1 d . U .
O24 O 0.5442(4) 0.5514(3) 0.7475(3) 0.0278(11) Uani 1 1 d . U .
O25 O 0.7577(6) 0.6424(4) 0.6248(4) 0.0601(17) Uani 1 1 d . U .
O26 O 0.7721(16) 0.5802(12) 0.5285(13) 0.085(4) Uani 0.5 1 d . U P
O26' O 0.8168(13) 0.5877(10) 0.5462(10) 0.067(3) Uani 0.5 1 d . U P
O27 O 0.7316(3) 0.5441(3) 0.8225(3) 0.0258(10) Uani 1 1 d . U .
O28 O 0.6276(3) 0.6769(3) 0.8071(3) 0.0251(10) Uani 1 1 d . U .
O29 O 0.5245(4) 0.7437(3) 0.8303(3) 0.0320(12) Uani 1 1 d . U .
O30 O 0.7521(4) 0.4308(3) 0.8557(3) 0.0327(12) Uani 1 1 d . U .
O1W O 0.4110(4) 0.4589(3) 0.9151(3) 0.0293(12) Uani 1 1 d . U .
O2W O 0.1433(9) 0.4315(7) 0.7550(8) 0.110(4) Uani 1 1 d . U .
O3W O 0.2607(10) 0.4103(8) 0.6669(8) 0.127(4) Uani 1 1 d . U .
O4W O 0.6463(5) 0.2005(4) 1.0653(4) 0.0572(19) Uani 1 1 d . U .
O5W O 0.7346(4) 0.2549(3) 0.9710(4) 0.0442(16) Uani 1 1 d . U .
O6W O 0.9003(4) 0.6185(4) 0.7924(4) 0.0471(16) Uani 1 1 d . U .
O7W O 0.1063(6) 0.7759(5) 0.9439(5) 0.076(2) Uani 1 1 d . U .
O8W O 0.9967(8) 0.5194(6) 0.7391(6) 0.098(3) Uani 1 1 d . U .
O9W O 0.5564(9) 0.6051(7) 0.5145(7) 0.114(3) Uani 1 1 d . U .
O10W O 0.0099(8) 0.3928(7) 0.6570(7) 0.103(3) Uani 1 1 d . U .
O11W O 0.1458(12) 0.4809(10) 0.5606(10) 0.165(5) Uani 1 1 d . U .
O12W O 0.1695(10) 0.4464(8) 0.7062(8) 0.126(4) Uani 1 1 d . U .
N1 N 0.6212(5) 0.7511(4) 0.6910(4) 0.0345(14) Uani 1 1 d . U .
N2 N 0.7725(5) 0.5220(4) 0.7037(4) 0.0362(14) Uani 1 1 d . U .
C1 C 0.1668(6) 0.6529(5) 0.8005(5) 0.0381(18) Uani 1 1 d . U .
H1A H 0.145098 0.637718 0.750900 0.046 Uiso 1 1 calc R U .
H1B H 0.120480 0.648057 0.821867 0.046 Uiso 1 1 calc R U .
C2 C 0.1894(8) 0.7277(6) 0.8012(7) 0.059(3) Uani 1 1 d . U .
H2A H 0.198791 0.745686 0.849514 0.071 Uiso 1 1 calc R U .
H2B H 0.141111 0.753053 0.770029 0.071 Uiso 1 1 calc R U .
C3 C 0.2720(6) 0.7445(5) 0.7767(5) 0.045(2) Uani 1 1 d . U .
C4 C 0.1153(5) 0.4672(5) 0.9760(4) 0.0297(15) Uani 1 1 d . U .
H4A H 0.087100 0.421735 0.965529 0.036 Uiso 1 1 calc R U .
H4B H 0.127918 0.475948 1.027027 0.036 Uiso 1 1 calc R U .
C5 C 0.0552(5) 0.5253(5) 0.9339(5) 0.0349(18) Uani 1 1 d . U .
H5A H 0.039542 0.513800 0.883178 0.042 Uiso 1 1 calc R U .
H5B H 0.003047 0.524838 0.948088 0.042 Uiso 1 1 calc R U .
C6 C 0.0913(5) 0.5989(5) 0.9438(5) 0.0331(17) Uani 1 1 d . U .
C7 C 0.2606(6) 0.2338(4) 0.9863(5) 0.0334(16) Uani 1 1 d . U .
H7A H 0.236905 0.209119 0.941171 0.040 Uiso 1 1 calc R U .
H7B H 0.301700 0.202475 1.018115 0.040 Uiso 1 1 calc R U .
C8 C 0.1887(6) 0.2488(5) 1.0191(5) 0.0373(18) Uani 1 1 d . U .
H8A H 0.174977 0.205921 1.040624 0.045 Uiso 1 1 calc R U .
H8B H 0.137845 0.263275 0.981547 0.045 Uiso 1 1 calc R U .
C9 C 0.2138(5) 0.3067(4) 1.0761(4) 0.0290(15) Uani 1 1 d . U .
C10 C 0.4946(6) 0.1918(4) 0.8710(4) 0.0314(16) Uani 1 1 d . U .
H10A H 0.479292 0.185356 0.819416 0.038 Uiso 1 1 calc R U .
H10B H 0.555978 0.184647 0.890119 0.038 Uiso 1 1 calc R U .
C11 C 0.4494(10) 0.1360(7) 0.9020(7) 0.067(3) Uani 1 1 d . U .
H11A H 0.473955 0.090225 0.897382 0.081 Uiso 1 1 calc R U .
H11B H 0.389466 0.134832 0.874171 0.081 Uiso 1 1 calc R U .
C12 C 0.4558(8) 0.1485(7) 0.9812(7) 0.060(2) Uani 1 1 d . U .
C13 C 0.5427(5) 0.3866(5) 0.7058(4) 0.0305(16) Uani 1 1 d . U .
H13A H 0.495171 0.393894 0.662813 0.037 Uiso 1 1 calc R U .
H13B H 0.588862 0.417861 0.703558 0.037 Uiso 1 1 calc R U .
C14 C 0.5729(6) 0.3103(5) 0.7082(4) 0.0358(18) Uani 1 1 d . U .
H14A H 0.523762 0.279088 0.698310 0.043 Uiso 1 1 calc R U .
H14B H 0.600652 0.303106 0.671039 0.043 Uiso 1 1 calc R U .
C15 C 0.6340(5) 0.2920(4) 0.7792(4) 0.0271(14) Uani 1 1 d . U .
C16 C 0.3842(5) 0.6101(5) 0.6805(4) 0.0309(16) Uani 1 1 d . U .
H16A H 0.326748 0.600392 0.649872 0.037 Uiso 1 1 calc R U .
H16B H 0.388073 0.660341 0.690595 0.037 Uiso 1 1 calc R U .
C17 C 0.4486(6) 0.5909(6) 0.6398(5) 0.0418(19) Uani 1 1 d . U .
H17A H 0.429471 0.548259 0.612283 0.050 Uiso 1 1 calc R U .
H17B H 0.449529 0.628526 0.606251 0.050 Uiso 1 1 calc R U .
C18 C 0.5380(5) 0.5796(4) 0.6882(4) 0.0304(15) Uani 1 1 d . U .
C19 C 0.5724(5) 0.7257(4) 0.7936(4) 0.0252(14) Uani 1 1 d . U .
C20 C 0.5619(5) 0.7645(5) 0.7238(5) 0.0330(16) Uani 1 1 d . U .
C21 C 0.4942(7) 0.8079(6) 0.6944(6) 0.051(2) Uani 1 1 d . U .
C22 C 0.4787(11) 0.8317(10) 0.6247(9) 0.038(3) Uani 0.6 1 d . U P
C22' C 0.5001(18) 0.8601(16) 0.6474(16) 0.044(4) Uani 0.4 1 d . U P
C23 C 0.5452(8) 0.8293(8) 0.6009(7) 0.068(3) Uani 1 1 d . U .
C24 C 0.6137(7) 0.7849(6) 0.6307(5) 0.049(2) Uani 1 1 d . U .
H24 H 0.655396 0.778818 0.607466 0.058 Uiso 1 1 calc R U .
C25 C 0.7830(10) 0.5842(8) 0.5991(7) 0.071(3) Uani 1 1 d . U .
C26 C 0.7866(8) 0.5136(6) 0.6381(6) 0.053(2) Uani 1 1 d . U .
C27 C 0.8005(9) 0.4463(7) 0.6168(7) 0.066(2) Uani 1 1 d . U .
H27 H 0.811223 0.440406 0.572856 0.079 Uiso 1 1 calc R U .
C28 C 0.7992(8) 0.3886(6) 0.6573(6) 0.054(2) Uani 1 1 d . U .
H28 H 0.808659 0.343841 0.641506 0.065 Uiso 1 1 calc R U .
C29 C 0.7835(7) 0.3975(5) 0.7225(5) 0.0414(18) Uani 1 1 d . U .
H29 H 0.781022 0.358701 0.750977 0.050 Uiso 1 1 calc R U .
C30 C 0.7715(6) 0.4652(5) 0.7449(5) 0.0334(16) Uani 1 1 d . U .
C31 C 0.7508(5) 0.4801(4) 0.8132(4) 0.0283(15) 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'
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'
Ge Ge 0.1547 1.8001 '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'
H H 0.0000 0.0000 '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
O2 Ge1 O3 116.5(2) . .
O2 Ge1 O1 109.7(2) . .
O3 Ge1 O1 91.4(3) . .
O2 Ge1 C1 116.9(3) . .
O3 Ge1 C1 110.9(3) . .
O1 Ge1 C1 108.3(3) . .
O7 Ge2 O1 110.6(2) . .
O7 Ge2 O6 106.9(2) . .
O1 Ge2 O6 92.7(3) . .
O7 Ge2 C4 114.7(3) . .
O1 Ge2 C4 111.4(3) . .
O6 Ge2 C4 118.4(3) . .
O11 Ge3 O6 112.5(2) . .
O11 Ge3 O10 103.6(2) . .
O6 Ge3 O10 89.7(2) . .
O11 Ge3 C7 122.4(3) . .
O6 Ge3 C7 114.1(3) . .
O10 Ge3 C7 108.5(3) . .
O11 Ge3 Nd1 107.95(17) . .
O6 Ge3 Nd1 43.35(16) . .
O10 Ge3 Nd1 47.47(18) . .
C7 Ge3 Nd1 129.0(3) . .
O15 Ge4 O10 115.7(2) . .
O15 Ge4 O14 109.1(2) . .
O10 Ge4 O14 89.2(2) . .
O15 Ge4 C10 114.3(3) . .
O10 Ge4 C10 113.6(3) . .
O14 Ge4 C10 112.0(3) . .
O18 Ge5 O14 112.1(2) . .
O18 Ge5 O19 105.0(2) . .
O14 Ge5 O19 88.6(2) . .
O18 Ge5 C13 123.7(3) . .
O14 Ge5 C13 112.2(3) . .
O19 Ge5 C13 109.0(3) . .
O18 Ge5 Nd1 107.56(17) . .
O14 Ge5 Nd1 46.44(17) . .
O19 Ge5 Nd1 43.52(16) . .
C13 Ge5 Nd1 128.0(3) . .
O22 Ge6 O19 113.0(2) . .
O22 Ge6 O3 104.6(2) . .
O19 Ge6 O3 89.3(2) . .
O22 Ge6 C16 121.2(3) . .
O19 Ge6 C16 113.9(3) . .
O3 Ge6 C16 109.2(3) . .
O22 Ge6 Nd1 109.00(17) . .
O19 Ge6 Nd1 42.52(16) . .
O3 Ge6 Nd1 47.95(17) . .
C16 Ge6 Nd1 129.5(3) . .
O4 Nd1 O2W 69.7(4) 2_546 .
O4 Nd1 O19 124.8(2) 2_546 .
O2W Nd1 O19 122.5(4) . .
O4 Nd1 O6 87.4(2) 2_546 .
O2W Nd1 O6 80.8(4) . .
O19 Nd1 O6 144.08(16) . .
O4 Nd1 O1W 145.0(2) 2_546 .
O2W Nd1 O1W 130.7(3) . .
O19 Nd1 O1W 72.50(17) . .
O6 Nd1 O1W 71.66(16) . .
O4 Nd1 O3W 70.3(4) 2_546 .
O2W Nd1 O3W 70.8(5) . .
O19 Nd1 O3W 66.5(3) . .
O6 Nd1 O3W 148.4(4) . .
O1W Nd1 O3W 138.4(4) . .
O4 Nd1 O14 88.8(2) 2_546 .
O2W Nd1 O14 154.5(3) . .
O19 Nd1 O14 58.70(15) . .
O6 Nd1 O14 112.91(16) . .
O1W Nd1 O14 74.79(17) . .
O3W Nd1 O14 89.4(4) . .
O4 Nd1 O10 71.3(2) 2_546 .
O2W Nd1 O10 123.7(4) . .
O19 Nd1 O10 112.83(16) . .
O6 Nd1 O10 58.36(16) . .
O1W Nd1 O10 73.77(17) . .
O3W Nd1 O10 128.7(3) . .
O14 Nd1 O10 57.20(15) . .
O4 Nd1 O3 142.2(2) 2_546 .
O2W Nd1 O3 78.6(3) . .
O19 Nd1 O3 58.19(16) . .
O6 Nd1 O3 107.77(16) . .
O1W Nd1 O3 72.38(17) . .
O3W Nd1 O3 80.4(3) . .
O14 Nd1 O3 114.70(16) . .
O10 Nd1 O3 146.07(16) . .
O4 Nd1 O1 118.1(2) 2_546 .
O2W Nd1 O1 57.3(3) . .
O19 Nd1 O1 110.26(15) . .
O6 Nd1 O1 56.40(16) . .
O1W Nd1 O1 73.39(17) . .
O3W Nd1 O1 114.5(4) . .
O14 Nd1 O1 148.18(16) . .
O10 Nd1 O1 112.98(15) . .
O3 Nd1 O1 54.18(15) . .
O4 Nd1 Ge5 112.11(19) 2_546 .
O2W Nd1 Ge5 149.3(3) . .
O19 Nd1 Ge5 29.84(11) . .
O6 Nd1 Ge5 129.33(12) . .
O1W Nd1 Ge5 66.19(12) . .
O3W Nd1 Ge5 81.0(3) . .
O14 Nd1 Ge5 29.62(11) . .
O10 Nd1 Ge5 83.33(11) . .
O3 Nd1 Ge5 85.24(11) . .
O1 Nd1 Ge5 129.78(11) . .
O4 Nd1 Ge3 82.39(17) 2_546 .
O2W Nd1 Ge3 105.7(3) . .
O19 Nd1 Ge3 129.80(12) . .
O6 Nd1 Ge3 29.11(12) . .
O1W Nd1 Ge3 65.52(12) . .
O3W Nd1 Ge3 152.0(3) . .
O14 Nd1 Ge3 84.08(11) . .
O10 Nd1 Ge3 29.90(11) . .
O3 Nd1 Ge3 126.96(11) . .
O1 Nd1 Ge3 83.20(10) . .
Ge5 Nd1 Ge3 104.81(2) . .
O21 Nd2 O13 79.1(2) 2_656 3_667
O21 Nd2 O25 68.5(2) 2_656 .
O13 Nd2 O25 143.5(2) 3_667 .
O21 Nd2 O27 155.5(2) 2_656 .
O13 Nd2 O27 80.09(18) 3_667 .
O25 Nd2 O27 125.7(2) . .
O21 Nd2 O6W 78.9(2) 2_656 .
O13 Nd2 O6W 70.2(2) 3_667 .
O25 Nd2 O6W 87.0(3) . .
O27 Nd2 O6W 81.9(2) . .
O21 Nd2 O23 122.7(2) 2_656 .
O13 Nd2 O23 139.92(18) 3_667 .
O25 Nd2 O23 74.7(2) . .
O27 Nd2 O23 81.81(19) . .
O6W Nd2 O23 141.3(2) . .
O21 Nd2 O28 110.5(2) 2_656 .
O13 Nd2 O28 68.03(18) 3_667 .
O25 Nd2 O28 138.9(2) . .
O27 Nd2 O28 72.93(16) . .
O6W Nd2 O28 134.0(2) . .
O23 Nd2 O28 72.56(18) . .
O21 Nd2 N2 123.6(2) 2_656 .
O13 Nd2 N2 126.9(2) 3_667 .
O25 Nd2 N2 64.6(2) . .
O27 Nd2 N2 61.74(19) . .
O6W Nd2 N2 69.1(2) . .
O23 Nd2 N2 72.2(2) . .
O28 Nd2 N2 125.3(2) . .
O21 Nd2 N1 67.5(2) 2_656 .
O13 Nd2 N1 98.0(2) 3_667 .
O25 Nd2 N1 85.2(3) . .
O27 Nd2 N1 128.53(18) . .
O6W Nd2 N1 146.1(2) . .
O23 Nd2 N1 67.0(2) . .
O28 Nd2 N1 59.44(18) . .
N2 Nd2 N1 134.3(2) . .
O21 Nd2 Nd4 142.35(16) 2_656 .
O13 Nd2 Nd4 70.91(12) 3_667 .
O25 Nd2 Nd4 145.45(19) . .
O27 Nd2 Nd4 36.08(11) . .
O6W Nd2 Nd4 110.34(17) . .
O23 Nd2 Nd4 73.40(13) . .
O28 Nd2 Nd4 36.87(11) . .
N2 Nd2 Nd4 93.04(15) . .
N1 Nd2 Nd4 94.25(14) . .
O22 Nd3 O11 70.24(17) 3_667 .
O22 Nd3 O2 81.55(17) 3_667 3_667
O11 Nd3 O2 120.18(17) . 3_667
O22 Nd3 O15 117.76(17) 3_667 .
O11 Nd3 O15 80.11(17) . .
O2 Nd3 O15 68.07(17) 3_667 .
O22 Nd3 O5 76.16(18) 3_667 3_667
O11 Nd3 O5 140.61(18) . 3_667
O2 Nd3 O5 73.04(19) 3_667 3_667
O15 Nd3 O5 135.26(19) . 3_667
O22 Nd3 O16 142.2(2) 3_667 .
O11 Nd3 O16 76.6(2) . .
O2 Nd3 O16 132.2(2) 3_667 .
O15 Nd3 O16 72.3(2) . .
O5 Nd3 O16 124.3(2) 3_667 .
O22 Nd3 O29 75.81(18) 3_667 3_667
O11 Nd3 O29 77.75(18) . 3_667
O2 Nd3 O29 143.97(18) 3_667 3_667
O15 Nd3 O29 147.80(19) . 3_667
O5 Nd3 O29 74.5(2) 3_667 3_667
O16 Nd3 O29 80.0(2) . 3_667
O22 Nd3 O4W 149.2(2) 3_667 .
O11 Nd3 O4W 139.8(2) . .
O2 Nd3 O4W 84.4(2) 3_667 .
O15 Nd3 O4W 81.3(2) . .
O5 Nd3 O4W 73.6(2) 3_667 .
O16 Nd3 O4W 63.9(3) . .
O29 Nd3 O4W 101.1(2) 3_667 .
O22 Nd3 Nd4 35.83(12) 3_667 3_667
O11 Nd3 Nd4 36.00(11) . 3_667
O2 Nd3 Nd4 109.02(12) 3_667 3_667
O15 Nd3 Nd4 107.01(12) . 3_667
O5 Nd3 Nd4 105.86(14) 3_667 3_667
O16 Nd3 Nd4 107.27(17) . 3_667
O29 Nd3 Nd4 65.72(12) 3_667 3_667
O4W Nd3 Nd4 165.98(18) . 3_667
O22 Nd3 Nd5 105.30(12) 3_667 .
O11 Nd3 Nd5 105.41(12) . .
O2 Nd3 Nd5 34.45(12) 3_667 .
O15 Nd3 Nd5 34.28(12) . .
O5 Nd3 Nd5 102.75(15) 3_667 .
O16 Nd3 Nd5 100.42(16) . .
O29 Nd3 Nd5 176.83(13) 3_667 .
O4W Nd3 Nd5 76.36(18) . .
Nd4 Nd3 Nd5 116.939(12) 3_667 .
O7 Nd4 O22 121.80(18) 3_667 .
O7 Nd4 O11 82.83(17) 3_667 3_667
O22 Nd4 O11 71.20(17) . 3_667
O7 Nd4 O18 70.56(17) 3_667 .
O22 Nd4 O18 83.01(18) . .
O11 Nd4 O18 124.78(17) 3_667 .
O7 Nd4 O27 91.62(18) 3_667 .
O22 Nd4 O27 140.56(18) . .
O11 Nd4 O27 139.23(18) 3_667 .
O18 Nd4 O27 90.24(17) . .
O7 Nd4 O12 74.87(17) 3_667 3_667
O22 Nd4 O12 133.42(18) . 3_667
O11 Nd4 O12 68.38(18) 3_667 3_667
O18 Nd4 O12 140.06(18) . 3_667
O27 Nd4 O12 71.17(18) . 3_667
O7 Nd4 O28 143.85(18) 3_667 .
O22 Nd4 O28 87.02(17) . .
O11 Nd4 O28 87.41(17) 3_667 .
O18 Nd4 O28 140.09(17) . .
O27 Nd4 O28 73.61(17) . .
O12 Nd4 O28 69.17(17) 3_667 .
O7 Nd4 O24 139.79(17) 3_667 .
O22 Nd4 O24 68.25(17) . .
O11 Nd4 O24 132.85(18) 3_667 .
O18 Nd4 O24 72.72(17) . .
O27 Nd4 O24 72.63(18) . .
O12 Nd4 O24 129.55(17) 3_667 .
O28 Nd4 O24 67.69(17) . .
O7 Nd4 Nd3 110.98(12) 3_667 3_667
O22 Nd4 Nd3 36.36(12) . 3_667
O11 Nd4 Nd3 36.46(12) 3_667 3_667
O18 Nd4 Nd3 112.35(13) . 3_667
O27 Nd4 Nd3 151.97(12) . 3_667
O12 Nd4 Nd3 98.15(13) 3_667 3_667
O28 Nd4 Nd3 78.38(12) . 3_667
O24 Nd4 Nd3 97.62(13) . 3_667
O7 Nd4 Nd5 36.29(12) 3_667 .
O22 Nd4 Nd5 112.92(13) . .
O11 Nd4 Nd5 113.61(13) 3_667 .
O18 Nd4 Nd5 36.87(12) . .
O27 Nd4 Nd5 80.77(12) . .
O12 Nd4 Nd5 103.86(12) 3_667 .
O28 Nd4 Nd5 154.35(12) . .
O24 Nd4 Nd5 103.69(13) . .
Nd3 Nd4 Nd5 127.256(12) 3_667 .
O7 Nd4 Nd2 121.39(12) 3_667 .
O22 Nd4 Nd2 116.80(13) . .
O11 Nd4 Nd2 117.39(12) 3_667 .
O18 Nd4 Nd2 117.80(12) . .
O27 Nd4 Nd2 36.12(12) . .
O12 Nd4 Nd2 65.67(12) 3_667 .
O28 Nd4 Nd2 37.50(12) . .
O24 Nd4 Nd2 64.29(12) . .
Nd3 Nd4 Nd2 115.875(12) 3_667 .
Nd5 Nd4 Nd2 116.858(12) . .
O7 Nd5 O15 114.23(17) 3_667 .
O7 Nd5 O2 78.93(17) 3_667 3_667
O15 Nd5 O2 68.02(17) . 3_667
O7 Nd5 O18 69.35(17) 3_667 .
O15 Nd5 O18 78.95(17) . .
O2 Nd5 O18 118.49(17) 3_667 .
O7 Nd5 O8 78.07(19) 3_667 3_667
O15 Nd5 O8 140.75(19) . 3_667
O2 Nd5 O8 79.08(19) 3_667 3_667
O18 Nd5 O8 137.73(19) . 3_667
O7 Nd5 O20 133.29(17) 3_667 .
O15 Nd5 O20 75.41(17) . .
O2 Nd5 O20 139.74(18) 3_667 .
O18 Nd5 O20 68.18(17) . .
O8 Nd5 O20 124.66(19) 3_667 .
O7 Nd5 O5W 150.69(19) 3_667 .
O15 Nd5 O5W 83.2(2) . .
O2 Nd5 O5W 87.1(2) 3_667 .
O18 Nd5 O5W 139.4(2) . .
O8 Nd5 O5W 74.0(2) 3_667 .
O20 Nd5 O5W 72.2(2) . .
O7 Nd5 O30 79.92(17) 3_667 .
O15 Nd5 O30 141.15(18) . .
O2 Nd5 O30 149.91(19) 3_667 .
O18 Nd5 O30 72.67(17) . .
O8 Nd5 O30 75.8(2) 3_667 .
O20 Nd5 O30 69.73(18) . .
O5W Nd5 O30 101.5(2) . .
O7 Nd5 Nd4 35.73(12) 3_667 .
O15 Nd5 Nd4 106.30(12) . .
O2 Nd5 Nd4 107.90(12) 3_667 .
O18 Nd5 Nd4 36.18(12) . .
O8 Nd5 Nd4 103.68(14) 3_667 .
O20 Nd5 Nd4 97.81(13) . .
O5W Nd5 Nd4 164.32(16) . .
O30 Nd5 Nd4 63.24(12) . .
O7 Nd5 Nd3 101.74(12) 3_667 .
O15 Nd5 Nd3 34.40(12) . .
O2 Nd5 Nd3 34.26(12) 3_667 .
O18 Nd5 Nd3 103.93(12) . .
O8 Nd5 Nd3 108.57(15) 3_667 .
O20 Nd5 Nd3 106.46(12) . .
O5W Nd5 Nd3 79.15(16) . .
O30 Nd5 Nd3 175.54(13) . .
Nd4 Nd5 Nd3 115.804(11) . .
Ge2 O1 Ge1 131.3(3) . .
Ge2 O1 Nd1 96.9(2) . .
Ge1 O1 Nd1 101.0(2) . .
Ge1 O2 Nd3 119.6(2) . 3_667
Ge1 O2 Nd5 128.7(3) . 3_667
Nd3 O2 Nd5 111.3(2) 3_667 3_667
Ge1 O3 Ge6 129.3(3) . .
Ge1 O3 Nd1 110.3(2) . .
Ge6 O3 Nd1 102.0(2) . .
C3 O4 Nd1 144.3(7) . 2_556
C3 O5 Nd3 137.5(6) . 3_667
Ge3 O6 Ge2 126.3(3) . .
Ge3 O6 Nd1 107.5(2) . .
Ge2 O6 Nd1 110.6(2) . .
Ge2 O7 Nd4 124.2(3) . 3_667
Ge2 O7 Nd5 120.0(2) . 3_667
Nd4 O7 Nd5 107.98(19) 3_667 3_667
C6 O8 Nd5 176.5(6) . 3_667
Ge4 O10 Ge3 131.0(3) . .
Ge4 O10 Nd1 104.8(2) . .
Ge3 O10 Nd1 102.6(2) . .
Ge3 O11 Nd4 118.3(2) . 3_667
Ge3 O11 Nd3 130.3(3) . .
Nd4 O11 Nd3 107.54(19) 3_667 .
C9 O12 Nd4 135.6(5) . 3_667
C9 O13 Nd2 133.0(5) . 3_667
Ge5 O14 Ge4 128.0(3) . .
Ge5 O14 Nd1 103.9(2) . .
Ge4 O14 Nd1 105.7(2) . .
Ge4 O15 Nd5 128.4(2) . .
Ge4 O15 Nd3 118.6(2) . .
Nd5 O15 Nd3 111.3(2) . .
C12 O16 Nd3 162.0(8) . .
O17' O17 C12 68(2) . .
O17 O17' C12 76(2) . .
Ge5 O18 Nd4 128.7(3) . .
Ge5 O18 Nd5 119.7(2) . .
Nd4 O18 Nd5 106.95(19) . .
Ge6 O19 Ge5 129.0(3) . .
Ge6 O19 Nd1 108.7(2) . .
Ge5 O19 Nd1 106.6(2) . .
C15 O20 Nd5 148.8(5) . .
C15 O21 Nd2 152.4(6) . 2_646
Ge6 O22 Nd4 119.1(2) . .
Ge6 O22 Nd3 129.2(3) . 3_667
Nd4 O22 Nd3 107.81(19) . 3_667
C18 O23 Nd2 126.6(5) . .
C18 O24 Nd4 140.4(5) . .
C25 O25 Nd2 122.1(8) . .
O26' O26 C25 72(3) . .
O26 O26' C25 76(3) . .
C31 O27 Nd4 119.8(5) . .
C31 O27 Nd2 126.8(5) . .
Nd4 O27 Nd2 107.80(19) . .
C19 O28 Nd4 123.1(5) . .
C19 O28 Nd2 129.6(5) . .
Nd4 O28 Nd2 105.63(19) . .
C19 O29 Nd3 140.9(5) . 3_667
C31 O30 Nd5 143.0(5) . .
C24 N1 C20 116.6(8) . .
C24 N1 Nd2 124.3(6) . .
C20 N1 Nd2 118.9(5) . .
C30 N2 C26 119.9(8) . .
C30 N2 Nd2 119.9(5) . .
C26 N2 Nd2 120.1(6) . .
C2 C1 Ge1 116.1(7) . .
C2 C1 H1A 108.3 . .
Ge1 C1 H1A 108.3 . .
C2 C1 H1B 108.3 . .
Ge1 C1 H1B 108.3 . .
H1A C1 H1B 107.4 . .
C1 C2 C3 115.1(9) . .
C1 C2 H2A 108.5 . .
C3 C2 H2A 108.5 . .
C1 C2 H2B 108.5 . .
C3 C2 H2B 108.5 . .
H2A C2 H2B 107.5 . .
O4 C3 O5 123.8(10) . .
O4 C3 C2 120.4(9) . .
O5 C3 C2 114.6(9) . .
C5 C4 Ge2 110.8(5) . .
C5 C4 H4A 109.5 . .
Ge2 C4 H4A 109.5 . .
C5 C4 H4B 109.5 . .
Ge2 C4 H4B 109.5 . .
H4A C4 H4B 108.1 . .
C6 C5 C4 115.4(7) . .
C6 C5 H5A 108.4 . .
C4 C5 H5A 108.4 . .
C6 C5 H5B 108.4 . .
C4 C5 H5B 108.4 . .
H5A C5 H5B 107.5 . .
O9 C6 O8 124.9(9) . .
O9 C6 C5 116.1(8) . .
O8 C6 C5 119.0(7) . .
C8 C7 Ge3 114.5(6) . .
C8 C7 H7A 108.6 . .
Ge3 C7 H7A 108.6 . .
C8 C7 H7B 108.6 . .
Ge3 C7 H7B 108.6 . .
H7A C7 H7B 107.6 . .
C7 C8 C9 111.4(7) . .
C7 C8 H8A 109.3 . .
C9 C8 H8A 109.3 . .
C7 C8 H8B 109.3 . .
C9 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
O13 C9 O12 125.2(8) . .
O13 C9 C8 120.4(7) . .
O12 C9 C8 114.3(7) . .
C11 C10 Ge4 114.4(7) . .
C11 C10 H10A 108.7 . .
Ge4 C10 H10A 108.7 . .
C11 C10 H10B 108.7 . .
Ge4 C10 H10B 108.7 . .
H10A C10 H10B 107.6 . .
C10 C11 C12 113.5(9) . .
C10 C11 H11A 108.9 . .
C12 C11 H11A 108.9 . .
C10 C11 H11B 108.9 . .
C12 C11 H11B 108.9 . .
H11A C11 H11B 107.7 . .
O16 C12 O17' 121.8(14) . .
O16 C12 O17 123.4(13) . .
O17' C12 O17 35.5(11) . .
O16 C12 C11 120.2(11) . .
O17' C12 C11 114.4(14) . .
O17 C12 C11 113.7(13) . .
C14 C13 Ge5 111.7(6) . .
C14 C13 H13A 109.3 . .
Ge5 C13 H13A 109.3 . .
C14 C13 H13B 109.3 . .
Ge5 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
C15 C14 C13 111.8(7) . .
C15 C14 H14A 109.3 . .
C13 C14 H14A 109.3 . .
C15 C14 H14B 109.3 . .
C13 C14 H14B 109.3 . .
H14A C14 H14B 107.9 . .
O21 C15 O20 122.2(8) . .
O21 C15 C14 119.8(7) . .
O20 C15 C14 118.1(7) . .
C17 C16 Ge6 113.6(6) . .
C17 C16 H16A 108.8 . .
Ge6 C16 H16A 108.8 . .
C17 C16 H16B 108.8 . .
Ge6 C16 H16B 108.8 . .
H16A C16 H16B 107.7 . .
C18 C17 C16 113.3(7) . .
C18 C17 H17A 108.9 . .
C16 C17 H17A 108.9 . .
C18 C17 H17B 108.9 . .
C16 C17 H17B 108.9 . .
H17A C17 H17B 107.7 . .
O24 C18 O23 124.0(8) . .
O24 C18 C17 116.2(7) . .
O23 C18 C17 119.8(7) . .
O29 C19 O28 127.4(7) . .
O29 C19 C20 117.3(7) . .
O28 C19 C20 115.3(7) . .
N1 C20 C21 121.9(8) . .
N1 C20 C19 115.8(7) . .
C21 C20 C19 122.3(8) . .
C20 C21 C22' 120.5(14) . .
C20 C21 C22 120.0(11) . .
C22' C21 C22 30.2(13) . .
C22' C22 C23 87(3) . .
C22' C22 C21 74(3) . .
C23 C22 C21 114.2(13) . .
C22 C22' C21 76(3) . .
C22 C22' C23 64(3) . .
C21 C22' C23 106(2) . .
C22 C23 C24 121.9(11) . .
C22 C23 C22' 29.7(13) . .
C24 C23 C22' 118.7(14) . .
N1 C24 C23 121.5(10) . .
N1 C24 H24 119.2 . .
C23 C24 H24 119.2 . .
O26' C25 O25 120.5(15) . .
O26' C25 O26 31.7(11) . .
O25 C25 O26 118.4(16) . .
O26' C25 C26 118.2(14) . .
O25 C25 C26 120.6(11) . .
O26 C25 C26 115.8(14) . .
N2 C26 C27 118.4(11) . .
N2 C26 C25 111.6(9) . .
C27 C26 C25 130.0(10) . .
C28 C27 C26 122.6(11) . .
C28 C27 H27 118.7 . .
C26 C27 H27 118.7 . .
C27 C28 C29 118.6(10) . .
C27 C28 H28 120.7 . .
C29 C28 H28 120.7 . .
C28 C29 C30 119.1(9) . .
C28 C29 H29 120.4 . .
C30 C29 H29 120.4 . .
N2 C30 C29 121.4(8) . .
N2 C30 C31 115.3(7) . .
C29 C30 C31 123.1(8) . .
O30 C31 O27 125.0(7) . .
O30 C31 C30 119.2(7) . .
O27 C31 C30 115.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ge1 O2 1.738(5) .
Ge1 O3 1.784(5) .
Ge1 O1 1.784(5) .
Ge1 C1 1.914(8) .
Ge2 O7 1.736(5) .
Ge2 O1 1.780(5) .
Ge2 O6 1.807(5) .
Ge2 C4 1.930(8) .
Ge3 O11 1.745(5) .
Ge3 O6 1.796(5) .
Ge3 O10 1.798(5) .
Ge3 C7 1.930(8) .
Ge3 Nd1 3.5199(8) .
Ge4 O15 1.742(5) .
Ge4 O10 1.783(5) .
Ge4 O14 1.810(5) .
Ge4 C10 1.934(7) .
Ge5 O18 1.727(5) .
Ge5 O14 1.783(5) .
Ge5 O19 1.818(5) .
Ge5 C13 1.942(7) .
Ge5 Nd1 3.5002(8) .
Ge6 O22 1.744(5) .
Ge6 O19 1.792(5) .
Ge6 O3 1.806(5) .
Ge6 C16 1.939(8) .
Ge6 Nd1 3.5255(8) .
Nd1 O4 2.404(7) 2_546
Nd1 O2W 2.493(14) .
Nd1 O19 2.516(5) .
Nd1 O6 2.534(5) .
Nd1 O1W 2.556(6) .
Nd1 O3W 2.607(15) .
Nd1 O14 2.613(5) .
Nd1 O10 2.658(6) .
Nd1 O3 2.676(5) .
Nd1 O1 2.913(6) .
Nd2 O21 2.368(6) 2_656
Nd2 O13 2.460(6) 3_667
Nd2 O25 2.462(7) .
Nd2 O27 2.497(5) .
Nd2 O6W 2.533(6) .
Nd2 O23 2.540(6) .
Nd2 O28 2.549(5) .
Nd2 N2 2.620(7) .
Nd2 N1 2.764(7) .
Nd2 Nd4 4.0330(5) .
Nd3 O22 2.384(5) 3_667
Nd3 O11 2.386(5) .
Nd3 O2 2.389(5) 3_667
Nd3 O15 2.398(5) .
Nd3 O5 2.481(6) 3_667
Nd3 O16 2.491(6) .
Nd3 O29 2.598(5) 3_667
Nd3 O4W 2.647(7) .
Nd3 Nd4 3.8282(5) 3_667
Nd3 Nd5 3.9540(5) .
Nd4 O7 2.352(5) 3_667
Nd4 O22 2.354(5) .
Nd4 O11 2.360(5) 3_667
Nd4 O18 2.364(5) .
Nd4 O27 2.494(5) .
Nd4 O12 2.503(5) 3_667
Nd4 O28 2.513(5) .
Nd4 O24 2.539(5) .
Nd4 Nd5 3.8312(5) .
Nd5 O7 2.384(5) 3_667
Nd5 O15 2.390(5) .
Nd5 O2 2.400(5) 3_667
Nd5 O18 2.403(5) .
Nd5 O8 2.491(6) 3_667
Nd5 O20 2.515(5) .
Nd5 O5W 2.581(6) .
Nd5 O30 2.684(5) .
O4 C3 1.255(11) .
O5 C3 1.257(10) .
O8 C6 1.253(10) .
O9 C6 1.248(10) .
O12 C9 1.264(9) .
O13 C9 1.241(9) .
O16 C12 1.240(14) .
O17 O17' 0.80(2) .
O17 C12 1.33(2) .
O17' C12 1.28(2) .
O20 C15 1.267(9) .
O21 C15 1.247(9) .
O23 C18 1.259(10) .
O24 C18 1.250(10) .
O25 C25 1.327(15) .
O26 O26' 0.72(3) .
O26 C25 1.34(3) .
O26' C25 1.31(2) .
O27 C31 1.277(9) .
O28 C19 1.265(9) .
O29 C19 1.252(9) .
O30 C31 1.244(10) .
N1 C24 1.311(11) .
N1 C20 1.333(11) .
N2 C30 1.347(11) .
N2 C26 1.374(12) .
C1 C2 1.463(15) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 C3 1.591(16) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C4 C5 1.542(12) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.504(13) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C7 C8 1.522(12) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.530(12) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C10 C11 1.513(15) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.536(17) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C13 C14 1.524(12) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.490(11) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C16 C17 1.537(12) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.501(13) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C19 C20 1.512(10) .
C20 C21 1.361(12) .
C21 C22' 1.37(3) .
C21 C22 1.384(17) .
C22 C22' 0.72(3) .
C22 C23 1.30(2) .
C22' C23 1.45(3) .
C23 C24 1.384(15) .
C24 H24 0.9300 .
C25 C26 1.530(18) .
C26 C27 1.381(16) .
C27 C28 1.352(17) .
C27 H27 0.9300 .
C28 C29 1.380(14) .
C28 H28 0.9300 .
C29 C30 1.388(12) .
C29 H29 0.9300 .
C30 C31 1.495(11) .
