#------------------------------------------------------------------------------
#$Date: 2025-03-04 21:47:03 +0200 (Tue, 04 Mar 2025) $
#$Revision: 298196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249676.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_7249676
loop_
_publ_author_name
'Ngom, Fallou'
'Blais, Chloé'
'Badiane, Insa'
'Hénaff, Christine'
'Camara, Magatte'
'Daiguebonne, Carole'
'Guillou, Olivier'
_publ_section_title
;
 Influence of halogens on the crystal packing of
 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              210
_journal_page_last               225
_journal_paper_doi               10.1039/D4CE00966E
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C48 H60 Cl24 Nd4 O54'
_chemical_formula_weight         2928.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-10-28 deposited with the CCDC.	2024-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                74.024(6)
_cell_angle_beta                 86.691(6)
_cell_angle_gamma                72.279(5)
_cell_formula_units_Z            1
_cell_length_a                   10.8914(15)
_cell_length_b                   13.7161(17)
_cell_length_c                   16.245(2)
_cell_measurement_reflns_used    9607
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.3
_cell_volume                     2221.5(5)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_av_unetI/netI     0.0540
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10016
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         1.964
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    3.125
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.189
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.160
_refine_diff_density_max         5.523
_refine_diff_density_min         -2.393
_refine_diff_density_rms         0.483
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.298
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         10016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.298
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0472P)²+2.6649P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1027
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9282
_reflns_number_total             10016
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00966e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7249676--7249681.cif.'
_cod_database_code               7249676
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Nd1 Nd 0.78981(2) 0.46113(2) 0.90080(2) 0.01063(7) Uani 1 1 d . . . . .
Nd2 Nd 0.67958(2) 0.50925(2) 0.45244(2) 0.01118(7) Uani 1 1 d . . . . .
Cl1 Cl 0.79253(10) 0.84029(8) 0.82260(6) 0.0247(2) Uani 1 1 d . . . . .
Cl2 Cl 0.74466(10) 1.05191(7) 0.87526(6) 0.0248(2) Uani 1 1 d . . . . .
Cl3 Cl 0.63472(9) 1.06562(7) 1.05525(6) 0.01982(18) Uani 1 1 d . . . . .
Cl4 Cl 0.57713(10) 0.87223(7) 1.18124(6) 0.0238(2) Uani 1 1 d . . . . .
Cl5 Cl 1.03410(9) 0.12162(7) 0.90676(5) 0.02058(18) Uani 1 1 d . . . . .
Cl6 Cl 1.08345(9) -0.09438(7) 0.86185(6) 0.02220(19) Uani 1 1 d . . . . .
Cl7 Cl 1.05463(10) -0.09570(7) 0.67209(6) 0.0242(2) Uani 1 1 d . . . . .
Cl8 Cl 0.97393(9) 0.11875(7) 0.52873(5) 0.02109(18) Uani 1 1 d . . . . .
Cl9 Cl 0.67040(9) 0.08879(7) 0.65147(5) 0.02011(18) Uani 1 1 d . . . . .
Cl10 Cl 0.73151(10) -0.12890(7) 0.60691(6) 0.0240(2) Uani 1 1 d . . . . .
Cl11 Cl 0.69248(9) -0.13268(7) 0.41968(6) 0.02115(18) Uani 1 1 d . . . . .
Cl12 Cl 0.59005(10) 0.07816(7) 0.27762(6) 0.02293(19) Uani 1 1 d . . . . .
O1 O 0.8452(3) 0.5935(2) 0.96649(18) 0.0203(5) Uani 1 1 d . . . . .
O2 O 0.6469(3) 0.6449(2) 0.91628(19) 0.0235(6) Uani 1 1 d . . . . .
O3 O 0.7142(3) 0.5885(3) 1.1432(3) 0.0428(9) Uani 1 1 d . . . . .
O4 O 0.5078(3) 0.6815(3) 1.1334(2) 0.0358(8) Uani 1 1 d . . . . .
O5 O 1.0481(3) 0.3667(2) 0.7364(2) 0.0288(7) Uani 1 1 d . . . . .
O6 O 0.8655(2) 0.3494(2) 0.80065(17) 0.0188(5) Uani 1 1 d . . . . .
O7 O 1.0309(3) 0.3443(2) 0.5416(2) 0.0308(7) Uani 1 1 d . . . . .
O8 O 0.8230(2) 0.3679(2) 0.56759(16) 0.0180(5) Uani 1 1 d . . . . .
O9 O 0.6503(2) 0.33970(19) 0.46403(17) 0.0170(5) Uani 1 1 d . . . . .
O10 O 0.4845(2) 0.31855(19) 0.54792(16) 0.0162(5) Uani 1 1 d . . . . .
O11 O 0.6007(3) 0.3086(2) 0.26947(17) 0.0211(6) Uani 1 1 d . . . . .
O12 O 0.4300(2) 0.3460(2) 0.35079(16) 0.0173(5) Uani 1 1 d . . . . .
O13 O 0.6475(3) 0.4555(2) 1.0280(2) 0.0303(7) Uani 1 1 d . . . . .
O14 O 0.9351(3) 0.3491(2) 1.02438(17) 0.0231(6) Uani 1 1 d . . . . .
O15 O 0.7386(3) 0.2874(2) 0.94915(19) 0.0261(6) Uani 1 1 d . . . . .
O16 O 1.0117(2) 0.4651(2) 0.86329(17) 0.0202(5) Uani 1 1 d . . . . .
O17 O 0.7805(3) 0.5928(2) 0.76279(17) 0.0210(6) Uani 1 1 d . . . . .
O18 O 0.5790(3) 0.4918(2) 0.83342(18) 0.0217(6) Uani 1 1 d . . . . .
O19 O 0.5585(2) 0.47917(19) 0.59159(16) 0.0141(5) Uani 1 1 d . . . . .
O20 O 0.7643(2) 0.6036(2) 0.53708(17) 0.0178(5) Uani 1 1 d . . . . .
O21 O 0.7080(3) 0.6656(2) 0.33938(18) 0.0258(6) Uani 1 1 d . . . . .
O22 O 0.6817(3) 0.4770(2) 0.30901(17) 0.0216(6) Uani 1 1 d . . . . .
O23 O 0.9065(2) 0.4775(2) 0.40613(17) 0.0192(5) Uani 1 1 d . . . . .
OW1 O 0.8360(3) 0.3457(3) 1.1834(2) 0.0334(7) Uani 1 1 d . . . . .
OW2 O 0.3929(3) 0.7321(2) 0.89561(18) 0.0231(6) Uani 1 1 d . . . . .
OW3 O 0.9798(3) 0.6706(2) 0.6913(2) 0.0330(7) Uani 1 1 d . . . . .
OW4 O 0.6514(3) 0.3090(2) 0.72228(18) 0.0228(6) Uani 1 1 d . . . . .
C1 C 0.7086(3) 0.7623(3) 0.9784(2) 0.0132(6) Uani 1 1 d . . . . .
C2 C 0.7336(3) 0.8498(3) 0.9220(2) 0.0156(7) Uani 1 1 d . . . . .
C3 C 0.7104(3) 0.9445(3) 0.9448(2) 0.0163(7) Uani 1 1 d . . . . .
C4 C 0.6616(3) 0.9507(3) 1.0251(2) 0.0151(7) Uani 1 1 d . . . . .
C5 C 0.6366(3) 0.8621(3) 1.0815(2) 0.0150(7) Uani 1 1 d . . . . .
C6 C 0.6581(3) 0.7676(3) 1.0590(2) 0.0135(6) Uani 1 1 d . . . . .
C7 C 0.7349(3) 0.6609(3) 0.9517(2) 0.0139(6) Uani 1 1 d . . . . .
C8 C 0.6272(4) 0.6709(3) 1.1177(2) 0.0164(7) Uani 1 1 d . . . . .
C9 C 0.9866(3) 0.2154(3) 0.7374(2) 0.0133(6) Uani 1 1 d . . . . .
C10 C 1.0201(3) 0.1196(3) 0.8018(2) 0.0142(6) Uani 1 1 d . . . . .
C11 C 1.0423(3) 0.0232(3) 0.7823(2) 0.0147(7) Uani 1 1 d . . . . .
C12 C 1.0286(3) 0.0227(3) 0.6973(2) 0.0159(7) Uani 1 1 d . . . . .
C13 C 0.9936(3) 0.1187(3) 0.6334(2) 0.0143(6) Uani 1 1 d . . . . .
C14 C 0.9740(3) 0.2148(3) 0.6528(2) 0.0122(6) Uani 1 1 d . . . . .
C15 C 0.9649(4) 0.3190(3) 0.7593(2) 0.0166(7) Uani 1 1 d . . . . .
C16 C 0.9390(3) 0.3181(3) 0.5816(2) 0.0138(6) Uani 1 1 d . . . . .
C17 C 0.6026(3) 0.1804(3) 0.4844(2) 0.0126(6) Uani 1 1 d . . . . .
C18 C 0.6475(3) 0.0857(3) 0.5483(2) 0.0139(6) Uani 1 1 d . . . . .
C19 C 0.6762(3) -0.0115(3) 0.5284(2) 0.0151(7) Uani 1 1 d . . . . .
C20 C 0.6585(3) -0.0133(3) 0.4446(2) 0.0148(7) Uani 1 1 d . . . . .
C21 C 0.6145(3) 0.0822(3) 0.3805(2) 0.0143(6) Uani 1 1 d . . . . .
C22 C 0.5868(3) 0.1787(3) 0.4002(2) 0.0139(6) Uani 1 1 d . . . . .
C23 C 0.5769(3) 0.2880(3) 0.5022(2) 0.0134(6) Uani 1 1 d . . . . .
C24 C 0.5356(3) 0.2851(3) 0.3337(2) 0.0139(7) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_publ_flag
O17 Nd1 O18 73.93(9) . . ?
O17 Nd1 O14 142.56(9) . . ?
O18 Nd1 O14 143.11(9) . . ?
O17 Nd1 O16 71.68(9) . . ?
O18 Nd1 O16 141.07(9) . . ?
O14 Nd1 O16 71.60(9) . . ?
O17 Nd1 O6 77.25(9) . . ?
O18 Nd1 O6 81.92(9) . . ?
O14 Nd1 O6 98.87(9) . . ?
O16 Nd1 O6 73.24(9) . . ?
O17 Nd1 O13 133.20(10) . . ?
O18 Nd1 O13 78.78(11) . . ?
O14 Nd1 O13 75.06(10) . . ?
O16 Nd1 O13 139.37(10) . . ?
O6 Nd1 O13 135.28(10) . . ?
O17 Nd1 O15 134.46(10) . . ?
O18 Nd1 O15 73.62(9) . . ?
O14 Nd1 O15 72.87(10) . . ?
O16 Nd1 O15 120.71(10) . . ?
O6 Nd1 O15 67.30(9) . . ?
O13 Nd1 O15 68.65(10) . . ?
O17 Nd1 O1 86.11(9) . . ?
O18 Nd1 O1 124.40(9) . . ?
O14 Nd1 O1 75.22(9) . . ?
O16 Nd1 O1 70.78(9) . . ?
O6 Nd1 O1 143.55(9) . . ?
O13 Nd1 O1 78.86(10) . . ?
O15 Nd1 O1 139.04(9) . . ?
O17 Nd1 O2 71.83(10) . . ?
O18 Nd1 O2 74.35(9) . . ?
O14 Nd1 O2 115.51(9) . . ?
O16 Nd1 O2 110.78(9) . . ?
O6 Nd1 O2 145.08(9) . . ?
O13 Nd1 O2 64.51(10) . . ?
O15 Nd1 O2 127.03(10) . . ?
O1 Nd1 O2 50.07(8) . . ?
O17 Nd1 C7 77.75(9) . . ?
O18 Nd1 C7 99.26(9) . . ?
O14 Nd1 C7 95.73(9) . . ?
O16 Nd1 C7 90.83(9) . . ?
O6 Nd1 C7 153.56(9) . . ?
O13 Nd1 C7 69.96(10) . . ?
O15 Nd1 C7 138.60(10) . . ?
O1 Nd1 C7 25.15(9) . . ?
O2 Nd1 C7 24.92(9) . . ?
O9 Nd2 O23 100.89(9) . . ?
O9 Nd2 O22 69.14(9) . . ?
O23 Nd2 O22 74.00(9) . . ?
O9 Nd2 O10 129.32(9) . 2_666 ?
O23 Nd2 O10 128.35(9) . 2_666 ?
O22 Nd2 O10 109.73(9) . 2_666 ?
O9 Nd2 O8 69.07(9) . . ?
O23 Nd2 O8 71.06(8) . . ?
O22 Nd2 O8 117.73(9) . . ?
O10 Nd2 O8 132.42(8) 2_666 . ?
O9 Nd2 O21 139.22(9) . . ?
O23 Nd2 O21 68.38(9) . . ?
O22 Nd2 O21 70.09(9) . . ?
O10 Nd2 O21 65.58(9) 2_666 . ?
O8 Nd2 O21 134.04(9) . . ?
O9 Nd2 O20 140.78(8) . . ?
O23 Nd2 O20 78.33(9) . . ?
O22 Nd2 O20 143.30(9) . . ?
O10 Nd2 O20 70.24(8) 2_666 . ?
O8 Nd2 O20 73.88(9) . . ?
O21 Nd2 O20 77.60(9) . . ?
O9 Nd2 O19 78.15(8) . . ?
O23 Nd2 O19 138.22(8) . . ?
O22 Nd2 O19 138.84(8) . . ?
O10 Nd2 O19 72.74(8) 2_666 . ?
O8 Nd2 O19 69.77(8) . . ?
O21 Nd2 O19 136.57(9) . . ?
O20 Nd2 O19 77.45(8) . . ?
O9 Nd2 O19 66.16(8) . 2_666 ?
O23 Nd2 O19 144.50(8) . 2_666 ?
O22 Nd2 O19 70.50(8) . 2_666 ?
O10 Nd2 O19 66.35(8) 2_666 2_666 ?
O8 Nd2 O19 126.59(8) . 2_666 ?
O21 Nd2 O19 99.18(9) . 2_666 ?
O20 Nd2 O19 133.20(8) . 2_666 ?
O19 Nd2 O19 73.87(8) . 2_666 ?
C7 O1 Nd1 94.8(2) . . ?
C7 O2 Nd1 93.8(2) . . ?
C15 O6 Nd1 138.8(2) . . ?
C16 O8 Nd2 139.2(2) . . ?
C23 O9 Nd2 137.1(2) . . ?
C23 O10 Nd2 135.9(2) . 2_666 ?
Nd2 O19 Nd2 106.13(8) . 2_666 ?
C2 C1 C6 120.8(3) . . ?
C2 C1 C7 119.1(3) . . ?
C6 C1 C7 120.1(3) . . ?
C1 C2 C3 120.5(3) . . ?
C1 C2 Cl1 119.1(3) . . ?
C3 C2 Cl1 120.4(3) . . ?
C2 C3 C4 119.4(3) . . ?
C2 C3 Cl2 120.3(3) . . ?
C4 C3 Cl2 120.3(3) . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 Cl3 120.3(3) . . ?
C5 C4 Cl3 120.1(3) . . ?
C6 C5 C4 121.3(3) . . ?
C6 C5 Cl4 120.3(3) . . ?
C4 C5 Cl4 118.4(3) . . ?
C5 C6 C1 118.3(3) . . ?
C5 C6 C8 122.6(3) . . ?
C1 C6 C8 119.1(3) . . ?
O2 C7 O1 121.3(3) . . ?
O2 C7 C1 119.5(3) . . ?
O1 C7 C1 119.2(3) . . ?
O2 C7 Nd1 61.28(19) . . ?
O1 C7 Nd1 60.03(18) . . ?
C1 C7 Nd1 179.2(2) . . ?
O3 C8 O4 124.3(4) . . ?
O3 C8 C6 119.2(4) . . ?
O4 C8 C6 116.4(3) . . ?
C14 C9 C10 119.8(3) . . ?
C14 C9 C15 120.1(3) . . ?
C10 C9 C15 120.1(3) . . ?
C11 C10 C9 120.8(3) . . ?
C11 C10 Cl5 119.9(3) . . ?
C9 C10 Cl5 119.3(3) . . ?
C10 C11 C12 119.4(3) . . ?
C10 C11 Cl6 120.5(3) . . ?
C12 C11 Cl6 120.0(3) . . ?
C13 C12 C11 119.6(3) . . ?
C13 C12 Cl7 120.3(3) . . ?
C11 C12 Cl7 120.1(3) . . ?
C14 C13 C12 120.9(3) . . ?
C14 C13 Cl8 119.3(3) . . ?
C12 C13 Cl8 119.8(3) . . ?
C13 C14 C9 119.6(3) . . ?
C13 C14 C16 119.8(3) . . ?
C9 C14 C16 120.6(3) . . ?
O5 C15 O6 125.7(3) . . ?
O5 C15 C9 117.4(3) . . ?
O6 C15 C9 116.9(3) . . ?
O8 C16 O7 126.0(3) . . ?
O8 C16 C14 117.5(3) . . ?
O7 C16 C14 116.5(3) . . ?
C18 C17 C22 120.2(3) . . ?
C18 C17 C23 121.7(3) . . ?
C22 C17 C23 118.0(3) . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 Cl9 119.8(3) . . ?
C19 C18 Cl9 120.2(3) . . ?
C20 C19 C18 119.8(3) . . ?
C20 C19 Cl10 119.8(3) . . ?
C18 C19 Cl10 120.4(3) . . ?
C19 C20 C21 119.8(3) . . ?
C19 C20 Cl11 120.2(3) . . ?
C21 C20 Cl11 120.0(3) . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 Cl12 120.7(3) . . ?
C20 C21 Cl12 119.1(3) . . ?
C21 C22 C17 119.9(3) . . ?
C21 C22 C24 122.6(3) . . ?
C17 C22 C24 117.5(3) . . ?
O9 C23 O10 126.7(3) . . ?
O9 C23 C17 113.8(3) . . ?
O10 C23 C17 119.3(3) . . ?
O11 C24 O12 124.8(3) . . ?
O11 C24 C22 119.5(3) . . ?
O12 C24 C22 115.6(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 O17 2.446(3) . ?
Nd1 O18 2.469(3) . ?
Nd1 O14 2.466(3) . ?
Nd1 O16 2.471(3) . ?
Nd1 O6 2.475(3) . ?
Nd1 O13 2.509(3) . ?
Nd1 O15 2.517(3) . ?
Nd1 O1 2.571(3) . ?
Nd1 O2 2.599(3) . ?
Nd1 C7 2.957(3) . ?
Nd2 O9 2.398(2) . ?
Nd2 O23 2.485(3) . ?
Nd2 O22 2.486(3) . ?
Nd2 O10 2.489(2) 2_666 ?
Nd2 O8 2.489(2) . ?
Nd2 O21 2.498(3) . ?
Nd2 O20 2.504(3) . ?
Nd2 O19 2.548(3) . ?
Nd2 O19 2.676(2) 2_666 ?
Cl1 C2 1.726(4) . ?
Cl2 C3 1.719(4) . ?
Cl3 C4 1.714(4) . ?
Cl4 C5 1.735(4) . ?
Cl5 C10 1.730(3) . ?
Cl6 C11 1.718(3) . ?
Cl7 C12 1.719(4) . ?
Cl8 C13 1.725(3) . ?
Cl9 C18 1.723(3) . ?
Cl10 C19 1.718(3) . ?
Cl11 C20 1.721(3) . ?
Cl12 C21 1.726(4) . ?
O1 C7 1.261(4) . ?
O2 C7 1.249(4) . ?
O3 C8 1.218(5) . ?
O4 C8 1.283(5) . ?
O5 C15 1.255(5) . ?
O6 C15 1.261(4) . ?
O7 C16 1.253(5) . ?
O8 C16 1.240(4) . ?
O9 C23 1.254(4) . ?
O10 C23 1.253(4) . ?
O11 C24 1.250(5) . ?
O12 C24 1.267(4) . ?
C1 C2 1.385(5) . ?
C1 C6 1.403(5) . ?
C1 C7 1.510(5) . ?
C2 C3 1.394(5) . ?
C3 C4 1.396(5) . ?
C4 C5 1.397(5) . ?
C5 C6 1.391(5) . ?
C6 C8 1.523(5) . ?
C9 C14 1.392(5) . ?
C9 C10 1.396(5) . ?
C9 C15 1.507(5) . ?
C10 C11 1.391(5) . ?
C11 C12 1.400(5) . ?
C12 C13 1.395(5) . ?
C13 C14 1.390(5) . ?
C14 C16 1.520(5) . ?
C17 C18 1.390(5) . ?
C17 C22 1.395(5) . ?
C17 C23 1.521(5) . ?
C18 C19 1.397(5) . ?
C19 C20 1.393(5) . ?
C20 C21 1.399(5) . ?
C21 C22 1.386(5) . ?
C22 C24 1.521(5) . ?
