#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:09:46 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180468 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/37/7213733.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_7213733
loop_
_publ_author_name
'Fang, Wei-Hui'
'Yang, Guo-Yu'
_publ_section_title
;
 Constructing heterometallic frameworks with highly connected topology
 based on edge-to-edge hexanuclear lanthanide clusters
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1885
_journal_paper_doi               10.1039/c3ce42224k
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C74 H63 Cl Cu5 I4 N6 O25 Sm3'
_chemical_formula_weight         2748.10
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.3640(10)
_cell_angle_beta                 97.7940(10)
_cell_angle_gamma                100.390(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1699(2)
_cell_length_b                   14.0489(3)
_cell_length_c                   27.7447(3)
_cell_measurement_reflns_used    31653
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.9018
_cell_measurement_theta_min      3.2959
_cell_volume                     4113.77(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            68085
_diffrn_reflns_theta_full        75.41
_diffrn_reflns_theta_max         75.41
_diffrn_reflns_theta_min         3.31
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    29.935
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.15273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.219
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2618
_exptl_crystal_size_max          0.428
_exptl_crystal_size_mid          0.322
_exptl_crystal_size_min          0.218
_refine_diff_density_max         3.574
_refine_diff_density_min         -5.059
_refine_diff_density_rms         0.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1053
_refine_ls_number_reflns         16430
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1288P)²+59.5384P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2019
_refine_ls_wR_factor_ref         0.2164
_reflns_number_gt                13602
_reflns_number_total             16430
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce42224k.txt
_cod_data_source_block           1
_cod_original_cell_volume        4113.76(12)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7213733
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sm1 Sm 0.47208(6) 0.19537(8) 0.51060(2) 0.0604(3) Uani 1 1 d .
Sm2 Sm 0.13225(8) 0.24166(8) 0.48956(4) 0.0822(4) Uani 1 1 d .
Sm3 Sm -0.17180(7) -0.01071(9) 0.47224(2) 0.0394(2) Uani 0.90 1 d P
Sm3' Sm -0.1690(6) 0.0430(6) 0.4724(2) 0.0224(13) Uani 0.10 1 d P
Cu1 Cu 0.04272(13) 0.60088(10) 1.02956(4) 0.0245(3) Uani 1 1 d .
Cu2 Cu 0.21280(15) 0.65509(11) 0.96762(5) 0.0300(3) Uani 1 1 d .
Cu3 Cu 0.28699(13) 0.84038(10) 1.02901(4) 0.0253(3) Uani 1 1 d .
Cu4 Cu 0.44709(13) 0.90281(11) 0.96948(5) 0.0272(3) Uani 1 1 d .
Cu5 Cu 0.5000 0.5000 1.0000 0.0461(5) Uani 1 2 d S
Cu6 Cu 0.0000 0.0000 0.0000 0.0461(5) Uani 1 2 d S
I1 I 0.19494(5) 0.48866(4) 1.000036(19) 0.02391(15) Uani 1 1 d .
I2 I 0.04871(5) 0.76143(4) 0.992983(18) 0.02309(15) Uani 1 1 d .
I3 I 0.45206(6) 0.73630(4) 0.99987(2) 0.02669(15) Uani 1 1 d .
C1 C -0.1248(12) 0.4085(10) 0.8653(4) 0.043(3) Uani 1 1 d .
C2 C -0.1466(13) 0.3807(12) 0.8133(4) 0.055(4) Uani 1 1 d .
C3 C -0.1219(10) 0.2911(10) 0.7882(3) 0.037(3) Uani 1 1 d .
C4 C -0.0725(11) 0.2335(11) 0.8176(4) 0.047(3) Uani 1 1 d .
C5 C -0.0530(10) 0.2693(10) 0.8694(3) 0.039(3) Uani 1 1 d .
C6 C -0.2511(11) 0.2781(11) 0.7060(4) 0.046(3) Uani 1 1 d .
C7 C -0.2823(11) 0.2438(10) 0.6550(4) 0.043(3) Uani 1 1 d .
C8 C -0.2159(10) 0.1846(10) 0.6279(4) 0.042(3) Uani 1 1 d .
C9 C -0.1153(9) 0.1598(10) 0.6543(4) 0.042(3) Uani 1 1 d .
C10 C -0.0852(11) 0.1928(10) 0.7063(4) 0.045(3) Uani 1 1 d .
C11 C -0.1518(10) 0.2554(10) 0.7328(4) 0.040(3) Uani 1 1 d .
C12 C -0.2547(9) 0.1444(11) 0.5726(4) 0.046(3) Uani 1 1 d .
C13 C 0.092(2) 0.631(2) 0.8629(9) 0.103(5) Uani 1 1 d U
C14 C 0.068(2) 0.598(2) 0.8101(8) 0.103(5) Uani 1 1 d .
C15 C 0.1512(16) 0.5643(10) 0.7863(5) 0.059(4) Uani 1 1 d .
C16 C 0.2798(19) 0.5824(13) 0.8167(6) 0.072(5) Uani 1 1 d .
C18 C 0.030(2) 0.4631(14) 0.7062(6) 0.087(6) Uani 1 1 d .
C19 C 0.0162(17) 0.4121(12) 0.6542(6) 0.072(4) Uani 1 1 d .
C20 C 0.112(2) 0.4374(13) 0.6330(8) 0.089(7) Uani 1 1 d .
C21 C 0.2200(18) 0.4963(13) 0.6543(6) 0.068(4) Uani 1 1 d .
C22 C 0.2358(18) 0.5362(15) 0.7046(5) 0.076(5) Uani 1 1 d .
C23 C 0.1318(17) 0.5268(10) 0.7317(5) 0.060(4) Uani 1 1 d .
C24 C 0.0941(15) 0.3702(16) 0.5701(9) 0.078(5) Uani 1 1 d .
C25 C 0.3700(11) -0.1967(9) 0.1285(4) 0.037(2) Uani 1 1 d .
C26 C 0.4064(11) -0.1784(10) 0.1801(4) 0.044(3) Uani 1 1 d .
C27 C 0.3903(10) -0.0885(9) 0.2102(3) 0.036(2) Uani 1 1 d .
C28 C 0.3317(12) -0.0278(9) 0.1863(4) 0.041(3) Uani 1 1 d .
C29 C 0.3016(11) -0.0529(8) 0.1349(4) 0.035(2) Uani 1 1 d .
C30 C 0.5349(11) -0.0900(9) 0.2878(3) 0.039(3) Uani 1 1 d .
C31 C 0.5682(10) -0.0675(9) 0.3396(3) 0.036(2) Uani 1 1 d .
C32 C 0.4956(9) -0.0200(9) 0.3701(3) 0.035(2) Uani 1 1 d .
C33 C 0.3897(10) 0.0059(10) 0.3483(3) 0.040(3) Uani 1 1 d .
C34 C 0.3554(11) -0.0167(9) 0.2961(3) 0.039(3) Uani 1 1 d .
C35 C 0.4256(10) -0.0653(9) 0.2657(4) 0.037(2) Uani 1 1 d .
C36 C 0.5289(9) 0.0012(10) 0.4266(3) 0.040(3) Uani 1 1 d .
C37 C 0.648(2) 0.0977(16) 0.1373(8) 0.086(5) Uani 1 1 d U
C38 C 0.6625(19) 0.137(3) 0.1937(9) 0.130(12) Uani 1 1 d .
C39 C 0.585(2) 0.1823(12) 0.2067(8) 0.091(6) Uani 1 1 d U
C40 C 0.513(3) 0.2220(19) 0.1799(7) 0.115(6) Uani 1 1 d U
C41 C 0.5213(19) 0.1817(19) 0.1316(6) 0.095(5) Uani 1 1 d .
C42 C 0.670(3) 0.1877(19) 0.3000(7) 0.115(6) Uani 1 1 d .
C43 C 0.6718(19) 0.1992(19) 0.3489(6) 0.095(5) Uani 1 1 d .
C44 C 0.5674(19) 0.2382(14) 0.3672(6) 0.080(6) Uani 1 1 d .
C45 C 0.473(2) 0.2543(14) 0.3327(6) 0.087(6) Uani 1 1 d .
C46 C 0.483(2) 0.2363(15) 0.2818(6) 0.081(5) Uani 1 1 d .
C47 C 0.587(2) 0.2075(13) 0.2660(7) 0.088(6) Uani 1 1 d .
C48 C 0.5476(18) 0.240(2) 0.4198(6) 0.102(8) Uani 1 1 d .
C49 C 0.3718(14) 0.3749(10) 0.9045(4) 0.051(3) Uani 1 1 d .
C50 C 0.3456(14) 0.3387(9) 0.8536(4) 0.051(3) Uani 1 1 d .
C51 C 0.4097(10) 0.3867(8) 0.8232(4) 0.032(2) Uani 1 1 d .
C52 C 0.5065(11) 0.4670(10) 0.8492(4) 0.045(3) Uani 1 1 d .
C53 C 0.5286(12) 0.4999(10) 0.9002(4) 0.048(3) Uani 1 1 d .
C54 C 0.2711(11) 0.2945(8) 0.7407(4) 0.040(3) Uani 1 1 d .
C55 C 0.2526(10) 0.2602(8) 0.6889(4) 0.038(2) Uani 1 1 d .
C56 C 0.3461(10) 0.2849(8) 0.6625(4) 0.035(2) Uani 1 1 d .
C57 C 0.4570(10) 0.3490(9) 0.6891(4) 0.035(2) Uani 1 1 d .
C58 C 0.4742(9) 0.3824(8) 0.7406(3) 0.033(2) Uani 1 1 d .
C59 C 0.3843(10) 0.3529(8) 0.7676(4) 0.031(2) Uani 1 1 d .
C60 C 0.3365(10) 0.2379(9) 0.6073(3) 0.037(2) Uani 1 1 d .
C61 C -0.0763(9) -0.0611(8) 0.0845(3) 0.028(2) Uani 1 1 d U
C62 C -0.0848(9) -0.0565(7) 0.1340(3) 0.0257(19) Uani 1 1 d U
C63 C -0.0192(9) 0.0263(7) 0.1719(3) 0.0254(19) Uani 1 1 d .
C64 C 0.0525(10) 0.1030(8) 0.1558(3) 0.031(2) Uani 1 1 d .
C65 C 0.0575(9) 0.0925(8) 0.1056(3) 0.028(2) Uani 1 1 d .
C66 C -0.1217(9) -0.0221(7) 0.2407(3) 0.028(2) Uani 1 1 d .
C67 C -0.1226(10) -0.0154(8) 0.2914(3) 0.031(2) Uani 1 1 d .
C68 C -0.0249(9) 0.0452(8) 0.3277(3) 0.028(2) Uani 1 1 d .
C69 C 0.0730(10) 0.1002(9) 0.3125(3) 0.034(2) Uani 1 1 d U
C70 C 0.0747(10) 0.0919(9) 0.2620(4) 0.035(2) Uani 1 1 d .
C71 C -0.0219(9) 0.0332(7) 0.2253(3) 0.0240(18) Uani 1 1 d .
C72 C -0.0259(10) 0.0543(9) 0.3828(3) 0.034(2) Uani 1 1 d .
N1 N -0.0777(8) 0.3550(7) 0.8935(3) 0.0299(18) Uani 1 1 d .
N2 N 0.1848(10) 0.6253(6) 0.8912(3) 0.036(2) Uani 1 1 d .
N3 N 0.3220(8) -0.1344(7) 0.1059(3) 0.0285(17) Uani 1 1 d .
N4 N 0.5925(10) 0.1362(7) 0.1065(3) 0.040(2) Uani 1 1 d .
N5 N 0.4612(10) 0.4529(7) 0.9288(3) 0.042(2) Uani 1 1 d .
N6 N -0.0058(8) 0.0114(6) 0.0694(3) 0.0288(17) Uani 1 1 d .
Cl Cl 0.3070(13) 0.3454(12) 0.2194(6) 0.113(4) Uani 0.50 1 d P
Cl' Cl 0.2617(9) 0.3893(7) 0.2270(4) 0.066(2) Uani 0.50 1 d P
O1 O -0.1966(7) 0.0843(7) 0.5511(3) 0.048(2) Uani 1 1 d U
O2 O -0.3449(10) 0.1727(10) 0.5509(4) 0.074(2) Uani 1 1 d .
O3 O 0.1801(16) 0.4022(13) 0.5506(5) 0.116(6) Uani 1 1 d .
O4 O 0.0215(13) 0.3052(9) 0.5587(3) 0.077(3) Uani 1 1 d .
O5 O 0.6129(7) -0.0354(7) 0.4452(3) 0.048(2) Uani 1 1 d .
O6 O 0.4697(7) 0.0501(7) 0.4510(3) 0.045(2) Uani 1 1 d U
O7 O 0.6252(13) 0.2408(13) 0.4539(5) 0.101(4) Uani 1 1 d U
O8 O 0.4372(11) 0.2404(11) 0.4297(3) 0.088(4) Uani 1 1 d .
O9 O 0.4323(7) 0.2469(7) 0.5908(2) 0.047(2) Uani 1 1 d U
O10 O 0.2317(8) 0.1923(8) 0.5833(3) 0.058(3) Uani 1 1 d .
O11 O -0.1068(9) -0.0065(6) 0.3952(3) 0.047(2) Uani 1 1 d .
O12 O 0.0545(7) 0.1208(7) 0.4131(2) 0.0436(19) Uani 1 1 d .
O15 O 0.2602(7) 0.1231(7) 0.4835(3) 0.0421(18) Uani 1 1 d U
O14 O 0.3441(14) 0.3220(13) 0.5135(8) 0.135(8) Uani 1 1 d .
O16 O 0.0207(7) 0.1045(8) 0.5140(3) 0.061(3) Uani 1 1 d .
O20 O 0.220(2) 0.3025(13) 0.2443(6) 0.136(7) Uani 1 1 d .
O19 O 0.409(2) 0.3946(15) 0.2306(11) 0.171(10) Uani 1 1 d .
O17 O 0.243(2) 0.464(3) 0.2588(10) 0.210(14) Uani 1 1 d .
O18 O 0.218(3) 0.376(3) 0.1767(9) 0.223(14) Uani 1 1 d .
O4W O -0.080(6) 0.295(5) 0.345(2) 0.44(3) Uiso 1 1 d .
O5W O -0.178(4) 0.444(3) 0.4984(17) 0.31(2) Uiso 1 1 d .
C17 C 0.296(2) 0.6140(14) 0.8683(7) 0.029(4) Uani 0.50 1 d P
C17' C 0.200(4) 0.544(3) 0.8643(9) 0.068(10) Uani 0.50 1 d P
O13 O 0.5583(16) 0.3720(14) 0.5380(6) 0.121(7) Uani 1 1 d .
O3W O -0.2154(10) 0.1433(10) 0.4459(4) 0.074(2) Uani 1 1 d .
O1W O 0.2250(16) 0.2978(14) 0.4171(7) 0.120(6) Uani 1 1 d .
O2W O -0.027(3) 0.294(2) 0.4468(6) 0.199(14) Uani 1 1 d .
C73 C 0.452(4) 0.398(3) 0.5370(14) 0.147(11) Uani 1 1 d U
C74 C 0.431(4) 0.505(2) 0.5602(9) 0.167(16) Uani 1 1 d .
I4 I 0.30896(5) 1.01805(4) 1.00865(2) 0.02723(15) 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -5.3236 12.2178 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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 Sm1 O9 84.8(3) 1_655 .
O2 Sm1 O6 86.4(3) 1_655 .
O9 Sm1 O6 140.6(3) . .
O2 Sm1 O15 143.7(4) 1_655 .
O9 Sm1 O15 88.5(3) . .
O6 Sm1 O15 76.5(3) . .
O2 Sm1 O13 87.2(5) 1_655 .
O9 Sm1 O13 73.5(4) . .
O6 Sm1 O13 144.3(5) . .
O15 Sm1 O13 124.8(5) . .
O2 Sm1 O8 126.7(4) 1_655 .
O9 Sm1 O8 138.0(4) . .
O6 Sm1 O8 75.5(4) . .
O15 Sm1 O8 79.8(3) . .
O13 Sm1 O8 80.5(5) . .
O2 Sm1 O14 140.1(6) 1_655 .
O9 Sm1 O14 69.5(5) . .
O6 Sm1 O14 132.7(6) . .
O15 Sm1 O14 67.8(4) . .
O13 Sm1 O14 57.0(6) . .
O8 Sm1 O14 68.7(6) . .
O2 Sm1 O7 77.1(4) 1_655 .
O9 Sm1 O7 141.4(4) . .
O6 Sm1 O7 72.5(4) . .
O15 Sm1 O7 125.5(4) . .
O13 Sm1 O7 71.8(6) . .
O8 Sm1 O7 49.7(4) . .
O14 Sm1 O7 104.2(5) . .
O2 Sm1 C73 111.6(9) 1_655 .
O9 Sm1 C73 65.8(7) . .
O6 Sm1 C73 151.4(7) . .
O15 Sm1 C73 97.8(8) . .
O13 Sm1 C73 27.1(8) . .
O8 Sm1 C73 75.9(8) . .
O14 Sm1 C73 30.2(8) . .
O7 Sm1 C73 89.5(8) . .
O2 Sm1 O5 78.2(3) 1_655 2_656
O9 Sm1 O5 65.9(3) . 2_656
O6 Sm1 O5 74.7(3) . 2_656
O15 Sm1 O5 66.5(3) . 2_656
O13 Sm1 O5 137.7(4) . 2_656
O8 Sm1 O5 139.2(3) . 2_656
O14 Sm1 O5 115.1(4) . 2_656
O7 Sm1 O5 139.7(4) . 2_656
C73 Sm1 O5 129.3(7) . 2_656
O2 Sm1 C48 100.6(5) 1_655 .
O9 Sm1 C48 150.7(6) . .
O6 Sm1 C48 68.7(6) . .
O15 Sm1 C48 102.5(4) . .
O13 Sm1 C48 78.0(6) . .
O8 Sm1 C48 26.2(5) . .
O14 Sm1 C48 89.5(7) . .
O7 Sm1 C48 24.0(5) . .
C73 Sm1 C48 85.7(9) . .
O5 Sm1 C48 143.4(6) 2_656 .
O2 Sm1 Sm2 159.7(2) 1_655 .
O9 Sm1 Sm2 75.5(2) . .
O6 Sm1 Sm2 105.97(19) . .
O15 Sm1 Sm2 33.5(2) . .
O13 Sm1 Sm2 91.4(5) . .
O8 Sm1 Sm2 72.8(3) . .
O14 Sm1 Sm2 34.4(4) . .
O7 Sm1 Sm2 121.5(3) . .
C73 Sm1 Sm2 64.4(8) . .
O5 Sm1 Sm2 89.47(16) 2_656 .
C48 Sm1 Sm2 98.9(5) . .
O2W Sm2 O12 72.8(5) . .
O2W Sm2 O14 128.0(9) . .
O12 Sm2 O14 122.1(6) . .
O2W Sm2 O15 144.8(5) . .
O12 Sm2 O15 72.4(3) . .
O14 Sm2 O15 69.0(5) . .
O2W Sm2 O16 101.6(8) . .
O12 Sm2 O16 76.3(3) . .
O14 Sm2 O16 129.7(4) . .
O15 Sm2 O16 75.1(3) . .
O2W Sm2 O3 88.3(7) . .
O12 Sm2 O3 159.5(5) . .
O14 Sm2 O3 63.8(7) . .
O15 Sm2 O3 125.1(5) . .
O16 Sm2 O3 116.3(4) . .
O2W Sm2 O4 77.9(5) . .
O12 Sm2 O4 129.6(4) . .
O14 Sm2 O4 108.3(6) . .
O15 Sm2 O4 130.3(4) . .
O16 Sm2 O4 70.5(4) . .
O3 Sm2 O4 50.2(5) . .
O2W Sm2 O1W 76.1(7) . .
O12 Sm2 O1W 69.3(5) . .
O14 Sm2 O1W 67.1(6) . .
O15 Sm2 O1W 86.9(5) . .
O16 Sm2 O1W 144.7(5) . .
O3 Sm2 O1W 98.9(6) . .
O4 Sm2 O1W 139.9(5) . .
O2W Sm2 C24 84.0(6) . .
O12 Sm2 C24 150.2(4) . .
O14 Sm2 C24 86.8(7) . .
O15 Sm2 C24 130.6(4) . .
O16 Sm2 C24 90.9(4) . .
O3 Sm2 C24 27.1(5) . .
O4 Sm2 C24 23.2(4) . .
O1W Sm2 C24 123.3(6) . .
O2W Sm2 O10 146.5(5) . .
O12 Sm2 O10 123.2(3) . .
O14 Sm2 O10 71.9(4) . .
O15 Sm2 O10 62.5(3) . .
O16 Sm2 O10 60.5(3) . .
O3 Sm2 O10 77.1(5) . .
O4 Sm2 O10 69.5(3) . .
O1W Sm2 O10 135.5(4) . .
C24 Sm2 O10 69.3(4) . .
O2W Sm2 Sm3 136.3(8) . 2_556
O12 Sm2 Sm3 79.0(2) . 2_556
O14 Sm2 Sm3 95.2(4) . 2_556
O15 Sm2 Sm3 38.4(2) . 2_556
O16 Sm2 Sm3 38.4(2) . 2_556
O3 Sm2 Sm3 121.2(4) . 2_556
O4 Sm2 Sm3 96.3(3) . 2_556
O1W Sm2 Sm3 123.6(4) . 2_556
C24 Sm2 Sm3 107.5(4) . 2_556
O10 Sm2 Sm3 44.20(19) . 2_556
O11 Sm3 O5 99.0(3) . 1_455
O11 Sm3 O16 86.6(3) . 2_556
O5 Sm3 O16 139.6(3) 1_455 2_556
O11 Sm3 O15 141.6(3) . 2_556
O5 Sm3 O15 75.5(3) 1_455 2_556
O16 Sm3 O15 75.7(3) 2_556 2_556
O11 Sm3 O1 146.4(3) . .
O5 Sm3 O1 88.1(3) 1_455 .
O16 Sm3 O1 109.1(3) 2_556 .
O15 Sm3 O1 72.0(3) 2_556 .
O11 Sm3 O16 88.2(3) . .
O5 Sm3 O16 147.7(3) 1_455 .
O16 Sm3 O16 71.9(4) 2_556 .
O15 Sm3 O16 117.0(3) 2_556 .
O1 Sm3 O16 69.9(3) . .
O11 Sm3 O3W 70.5(3) . .
O5 Sm3 O3W 71.7(3) 1_455 .
O16 Sm3 O3W 145.3(3) 2_556 .
O15 Sm3 O3W 137.7(3) 2_556 .
O1 Sm3 O3W 80.9(3) . .
O16 Sm3 O3W 81.4(4) . .
O11 Sm3 O10 72.8(3) . 2_556
O5 Sm3 O10 76.7(3) 1_455 2_556
O16 Sm3 O10 66.7(3) 2_556 2_556
O15 Sm3 O10 68.9(3) 2_556 2_556
O1 Sm3 O10 140.4(3) . 2_556
O16 Sm3 O10 135.0(3) . 2_556
O3W Sm3 O10 126.2(3) . 2_556
O11 Sm3 Sm2 111.4(2) . 2_556
O5 Sm3 Sm2 104.3(2) 1_455 2_556
O16 Sm3 Sm2 38.8(2) 2_556 2_556
O15 Sm3 Sm2 38.8(2) 2_556 2_556
O1 Sm3 Sm2 98.3(2) . 2_556
O16 Sm3 Sm2 102.1(3) . 2_556
O3W Sm3 Sm2 175.9(2) . 2_556
O10 Sm3 Sm2 52.5(2) 2_556 2_556
O11 Sm3 Sm3 86.8(2) . 2_556
O5 Sm3 Sm3 173.1(2) 1_455 2_556
O16 Sm3 Sm3 36.5(2) 2_556 2_556
O15 Sm3 Sm3 97.67(19) 2_556 2_556
O1 Sm3 Sm3 89.14(19) . 2_556
O16 Sm3 Sm3 35.4(3) . 2_556
O3W Sm3 Sm3 114.1(2) . 2_556
O10 Sm3 Sm3 101.6(2) 2_556 2_556
Sm2 Sm3 Sm3 69.87(4) 2_556 2_556
Sm3' Sm3 Sm1 123.7(5) . 2_556
O11 Sm3 Sm1 125.2(2) . 2_556
O5 Sm3 Sm1 44.7(2) 1_455 2_556
O16 Sm3 Sm1 100.1(2) 2_556 2_556
O15 Sm3 Sm1 31.70(18) 2_556 2_556
O1 Sm3 Sm1 82.3(2) . 2_556
O16 Sm3 Sm1 145.7(2) . 2_556
O3W Sm3 Sm1 114.3(2) . 2_556
O10 Sm3 Sm1 61.2(2) 2_556 2_556
Sm2 Sm3 Sm1 61.57(3) 2_556 2_556
Sm3 Sm3 Sm1 128.59(5) 2_556 2_556
N1 Cu1 I1 109.2(3) 2_567 .
N1 Cu1 I2 108.9(3) 2_567 .
I1 Cu1 I2 115.47(5) . .
N1 Cu1 I1 108.0(3) 2_567 2_567
I1 Cu1 I1 114.03(5) . 2_567
I2 Cu1 I1 100.78(5) . 2_567
N1 Cu1 Cu2 124.5(3) 2_567 .
I1 Cu1 Cu2 58.29(4) . .
I2 Cu1 Cu2 57.30(4) . .
I1 Cu1 Cu2 126.88(5) 2_567 .
N1 Cu1 Cu1 125.8(3) 2_567 2_567
I1 Cu1 Cu1 57.73(5) . 2_567
I2 Cu1 Cu1 124.39(7) . 2_567
I1 Cu1 Cu1 56.29(5) 2_567 2_567
Cu2 Cu1 Cu1 94.41(6) . 2_567
N2 Cu2 I2 104.6(3) . .
N2 Cu2 I3 106.5(3) . .
I2 Cu2 I3 118.97(5) . .
N2 Cu2 I1 111.7(3) . .
I2 Cu2 I1 114.40(6) . .
I3 Cu2 I1 100.60(5) . .
N2 Cu2 Cu3 124.3(3) . .
I2 Cu2 Cu3 59.59(5) . .
I3 Cu2 Cu3 59.44(5) . .
I1 Cu2 Cu3 123.56(6) . .
N2 Cu2 Cu1 128.2(3) . .
I2 Cu2 Cu1 57.88(4) . .
I3 Cu2 Cu1 124.90(6) . .
I1 Cu2 Cu1 56.63(4) . .
Cu3 Cu2 Cu1 90.43(6) . .
N3 Cu3 I4 106.6(3) 1_566 .
N3 Cu3 I2 110.5(3) 1_566 .
I4 Cu3 I2 101.31(5) . .
N3 Cu3 I3 103.7(2) 1_566 .
I4 Cu3 I3 115.94(5) . .
I2 Cu3 I3 118.41(5) . .
N3 Cu3 Cu2 122.6(3) 1_566 .
I4 Cu3 Cu2 130.58(6) . .
I2 Cu3 Cu2 59.05(5) . .
I3 Cu3 Cu2 59.42(5) . .
N3 Cu3 Cu4 126.9(3) 1_566 .
I4 Cu3 Cu4 57.66(4) . .
I2 Cu3 Cu4 121.94(6) . .
I3 Cu3 Cu4 58.88(5) . .
Cu2 Cu3 Cu4 92.73(6) . .
N4 Cu4 I4 112.7(3) 2_666 .
N4 Cu4 I3 107.2(3) 2_666 .
I4 Cu4 I3 117.56(5) . .
N4 Cu4 I4 104.3(3) 2_666 2_677
I4 Cu4 I4 115.19(5) . 2_677
I3 Cu4 I4 98.16(5) . 2_677
N4 Cu4 Cu3 123.5(3) 2_666 .
I4 Cu4 Cu3 59.31(4) . .
I3 Cu4 Cu3 58.86(4) . .
I4 Cu4 Cu3 130.61(6) 2_677 .
N4 Cu4 Cu4 126.1(3) 2_666 2_677
I4 Cu4 Cu4 58.93(5) . 2_677
I3 Cu4 Cu4 124.03(7) . 2_677
I4 Cu4 Cu4 56.26(5) 2_677 2_677
Cu3 Cu4 Cu4 98.46(7) . 2_677
N5 Cu5 N5 180.000(5) 2_667 .
N6 Cu6 N6 180.0(5) . 2
Cu1 I1 Cu1 65.97(5) . 2_567
Cu1 I1 Cu2 65.08(5) . .
Cu1 I1 Cu2 103.90(5) 2_567 .
Cu2 I2 Cu3 61.37(5) . .
Cu2 I2 Cu1 64.82(5) . .
Cu3 I2 Cu1 95.57(5) . .
Cu2 I3 Cu3 61.14(5) . .
Cu2 I3 Cu4 95.85(5) . .
Cu3 I3 Cu4 62.26(5) . .
N1 C1 C2 123.1(11) . .
C1 C2 C3 120.4(12) . .
C2 C3 C4 117.1(9) . .
C2 C3 C11 122.1(10) . .
C4 C3 C11 120.7(11) . .
C5 C4 C3 117.5(11) . .
N1 C5 C4 125.3(11) . .
C7 C6 C11 121.5(11) . .
C6 C7 C8 121.9(11) . .
C7 C8 C9 117.8(9) . .
C7 C8 C12 121.0(10) . .
C9 C8 C12 121.1(10) . .
C10 C9 C8 120.4(10) . .
C9 C10 C11 120.6(11) . .
C6 C11 C10 117.8(9) . .
C6 C11 C3 120.5(10) . .
C10 C11 C3 121.6(10) . .
O1 C12 O2 125.1(10) . .
O1 C12 C8 117.4(10) . .
O2 C12 C8 117.5(11) . .
N2 C13 C14 126(2) . .
N2 C13 C17' 42.9(13) . .
C14 C13 C17' 87.9(18) . .
C15 C14 C13 121(2) . .
C14 C15 C23 123.6(19) . .
C14 C15 C16 116.5(15) . .
C23 C15 C16 119.1(14) . .
C17 C16 C15 118.6(17) . .
C17 C16 C17' 45.4(15) . .
C15 C16 C17' 84.6(15) . .
C23 C18 C19 123.3(16) . .
C20 C19 C18 114.6(16) . .
C21 C20 C19 128.2(19) . .
C21 C20 C24 118.1(14) . .
C19 C20 C24 113.3(16) . .
C20 C21 C22 116.3(19) . .
C21 C22 C23 121.4(18) . .
C18 C23 C15 121.9(14) . .
C18 C23 C22 115.1(13) . .
C15 C23 C22 121.0(15) . .
O4 C24 O3 133(2) . .
O4 C24 C20 115.3(15) . .
O3 C24 C20 111.1(17) . .
O4 C24 Sm2 68.9(14) . .
O3 C24 Sm2 64.7(12) . .
C20 C24 Sm2 159.3(13) . .
N3 C25 C26 123.8(10) . .
C25 C26 C27 118.0(11) . .
C28 C27 C26 117.4(9) . .
C28 C27 C35 121.9(10) . .
C26 C27 C35 120.6(10) . .
C29 C28 C27 119.2(10) . .
N3 C29 C28 124.0(10) . .
C31 C30 C35 119.6(10) . .
C30 C31 C32 120.3(10) . .
C33 C32 C31 119.9(9) . .
C33 C32 C36 119.6(9) . .
C31 C32 C36 120.5(9) . .
C32 C33 C34 120.1(10) . .
C35 C34 C33 120.2(10) . .
C34 C35 C30 119.8(9) . .
C34 C35 C27 120.4(10) . .
C30 C35 C27 119.7(9) . .
O6 C36 O5 124.0(9) . .
O6 C36 C32 117.5(9) . .
O5 C36 C32 118.4(10) . .
N4 C37 C38 122.5(18) . .
N4 C37 C41 38.6(9) . .
C38 C37 C41 86.2(13) . .
C39 C38 C37 114.2(18) . .
C38 C39 C40 128(2) . .
C38 C39 C47 114(2) . .
C40 C39 C47 117.7(18) . .
C39 C40 C41 105(2) . .
N4 C41 C40 140(2) . .
N4 C41 C37 37.4(10) . .
C40 C41 C37 104.5(17) . .
C43 C42 C47 128(2) . .
C42 C43 C44 115(2) . .
C45 C44 C43 119.4(15) . .
C45 C44 C48 119(2) . .
C43 C44 C48 120.2(18) . .
C46 C45 C44 119(2) . .
C47 C46 C45 120.4(19) . .
C42 C47 C46 117.4(17) . .
C42 C47 C39 125(2) . .
C46 C47 C39 116.1(19) . .
O7 C48 O8 116.2(15) . .
O7 C48 C44 125.4(19) . .
O8 C48 C44 118.4(17) . .
O7 C48 Sm1 61.0(10) . .
O8 C48 Sm1 56.8(8) . .
C44 C48 Sm1 165.9(15) . .
N5 C49 C50 124.6(11) . .
C49 C50 C51 120.4(11) . .
C50 C51 C52 114.5(10) . .
C50 C51 C59 123.3(10) . .
C52 C51 C59 122.1(9) . .
C53 C52 C51 122.4(11) . .
N5 C53 C52 121.4(11) . .
C55 C54 C59 121.0(10) . .
C54 C55 C56 120.8(10) . .
C55 C56 C57 118.3(9) . .
C55 C56 C60 122.5(9) . .
C57 C56 C60 119.0(9) . .
C58 C57 C56 120.2(9) . .
C57 C58 C59 121.8(9) . .
C58 C59 C54 117.6(9) . .
C58 C59 C51 119.8(9) . .
C54 C59 C51 122.5(9) . .
O9 C60 O10 126.3(10) . .
O9 C60 C56 116.6(9) . .
O10 C60 C56 117.0(10) . .
N6 C61 C62 123.4(9) . .
C61 C62 C63 120.8(9) . .
C62 C63 C64 115.7(8) . .
C62 C63 C71 122.8(9) . .
C64 C63 C71 121.5(9) . .
C65 C64 C63 120.3(9) . .
N6 C65 C64 123.2(9) . .
C67 C66 C71 120.6(9) . .
C68 C67 C66 120.6(9) . .
C69 C68 C67 118.9(8) . .
C69 C68 C72 120.1(9) . .
C67 C68 C72 121.0(9) . .
C70 C69 C68 120.4(9) . .
C71 C70 C69 121.8(9) . .
C70 C71 C66 117.7(8) . .
C70 C71 C63 121.1(9) . .
C66 C71 C63 121.1(8) . .
O12 C72 O11 124.2(9) . .
O12 C72 C68 117.4(9) . .
O11 C72 C68 118.4(10) . .
C1 N1 C5 116.6(8) . .
C1 N1 Cu1 122.4(7) . 2_567
C5 N1 Cu1 121.0(7) . 2_567
C13 N2 C17 116.4(14) . .
C13 N2 Cu2 126.9(12) . .
C17 N2 Cu2 115.6(9) . .
C25 N3 C29 117.3(8) . .
C25 N3 Cu3 121.6(7) . 1_544
C29 N3 Cu3 121.0(7) . 1_544
C37 N4 C41 104.0(15) . .
C37 N4 Cu4 131.1(11) . 2_666
C41 N4 Cu4 120.1(10) . 2_666
C49 N5 C53 116.4(9) . .
C49 N5 Cu5 124.2(8) . .
C53 N5 Cu5 119.4(8) . .
C61 N6 C65 116.7(7) . .
C61 N6 Cu6 120.9(6) . .
C65 N6 Cu6 122.4(6) . .
Cl' Cl O19 103(2) . .
Cl' Cl O20 74.2(15) . .
O19 Cl O20 137(2) . .
Cl' Cl O18 57.9(17) . .
O19 Cl O18 114(2) . .
O20 Cl O18 100.7(16) . .
Cl' Cl O17 18.8(12) . .
O19 Cl O17 89.6(16) . .
O20 Cl O17 74.8(14) . .
O18 Cl O17 75.3(16) . .
Cl Cl' O17 148.6(19) . .
Cl Cl' O18 90(2) . .
O17 Cl' O18 119(2) . .
Cl Cl' O20 69.7(14) . .
O17 Cl' O20 106.8(17) . .
O18 Cl' O20 112.2(17) . .
Cl Cl' O19 45.3(12) . .
O17 Cl' O19 110.1(15) . .
O18 Cl' O19 104.4(18) . .
O20 Cl' O19 103.3(13) . .
C12 O1 Sm3 145.1(7) . .
Sm3' O1 Sm3 18.26(18) . .
C12 O2 Sm1 169.7(11) . 1_455
C24 O3 Sm2 88.2(14) . .
C24 O4 Sm2 87.9(14) . .
C36 O5 Sm3 144.7(9) . 1_655
C36 O5 Sm1 114.5(7) . 2_656
Sm3 O5 Sm1 99.8(3) 1_655 2_656
C36 O6 Sm1 146.8(8) . .
C48 O7 Sm1 95.0(12) . .
C48 O8 Sm1 97.0(10) . .
C60 O9 Sm1 131.6(6) . .
C60 O10 Sm3 126.8(9) . 2_556
C60 O10 Sm2 119.8(8) . .
Sm3 O10 Sm2 83.3(2) 2_556 .
C72 O11 Sm3' 118.5(7) . .
C72 O11 Sm3 132.5(7) . .
Sm3' O11 Sm3 18.35(17) . .
C72 O12 Sm2 154.3(7) . .
Sm1 O15 Sm3 116.4(3) . 2_556
Sm1 O15 Sm2 113.5(4) . .
Sm3 O15 Sm2 102.8(3) 2_556 .
C73 O14 Sm2 159(2) . .
C73 O14 Sm1 89.2(18) . .
Sm2 O14 Sm1 109.6(7) . .
Sm3' O16 Sm3 125.4(5) . 2_556
Sm3' O16 Sm2 115.4(5) . .
Sm3 O16 Sm2 102.8(3) 2_556 .
Sm3' O16 Sm3 17.86(18) . .
Sm3 O16 Sm3 108.1(4) 2_556 .
Sm2 O16 Sm3 129.5(4) . .
Cl O20 Cl' 36.1(8) . .
Cl O19 Cl' 31.8(11) . .
Cl' O17 Cl 12.6(8) . .
Cl' O18 Cl 32.5(8) . .
C17' C17 C16 85.2(18) . .
C17' C17 N2 54.1(15) . .
C16 C17 N2 118.0(17) . .
C73 O13 Sm1 95.1(19) . .
Sm3' O3W Sm3 7.7(2) . .
O13 C73 O14 117(3) . .
O13 C73 C74 126(3) . .
O14 C73 C74 117(3) . .
O13 C73 Sm1 57.7(17) . .
O14 C73 Sm1 60.6(15) . .
C74 C73 Sm1 169(2) . .
Cu4 I4 Cu3 63.03(5) . .
Cu4 I4 Cu4 64.81(6) . 2_677
Cu3 I4 Cu4 104.86(5) . 2_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O2 2.302(12) 1_655
Sm1 O9 2.316(7) .
Sm1 O6 2.329(9) .
Sm1 O15 2.349(8) .
Sm1 O13 2.407(18) .
Sm1 O8 2.460(10) .
Sm1 O14 2.471(18) .
Sm1 O7 2.563(13) .
Sm1 O5 2.860(9) 2_656
Sm2 O2W 2.323(15) .
Sm2 O12 2.359(7) .
Sm2 O14 2.367(15) .
Sm2 O15 2.377(8) .
Sm2 O16 2.377(11) .
Sm2 O3 2.435(15) .
Sm2 O4 2.513(11) .
Sm2 O1W 2.586(17) .
Sm2 O10 2.957(10) .
Sm3 O11 2.357(7) .
Sm3 O5 2.359(8) 1_455
Sm3 O16 2.360(10) 2_556
Sm3 O15 2.361(8) 2_556
Sm3 O1 2.387(7) .
Sm3 O16 2.419(8) .
Sm3 O3W 2.533(14) .
Sm3 O10 2.599(10) 2_556
Cu1 N1 2.053(7) 2_567
Cu1 I1 2.6152(15) .
Cu1 I2 2.6580(15) .
Cu1 I1 2.6581(15) 2_567
Cu1 Cu2 2.840(2) .
Cu1 Cu1 2.871(3) 2_567
Cu2 N2 2.040(8) .
Cu2 I2 2.6408(16) .
Cu2 I3 2.6569(17) .
Cu2 I1 2.6640(16) .
Cu2 Cu3 2.703(2) .
Cu3 N3 2.056(7) 1_566
Cu3 I4 2.6515(15) .
Cu3 I2 2.6556(15) .
Cu3 I3 2.6575(16) .
Cu4 N4 2.026(9) 2_666
Cu4 I4 2.6050(16) .
Cu4 I3 2.6579(15) .
Cu4 I4 2.6832(16) 2_677
Cu5 N5 1.905(9) 2_667
Cu5 N5 1.905(9) .
Cu6 N6 1.907(7) .
Cu6 N6 1.907(7) 2
I1 Cu1 2.6581(15) 2_567
C1 N1 1.318(14) .
C1 C2 1.385(14) .
C2 C3 1.395(18) .
C3 C4 1.396(17) .
C3 C11 1.482(12) .
C4 C5 1.389(13) .
C5 N1 1.341(15) .
C6 C7 1.366(14) .
C6 C11 1.375(16) .
C7 C8 1.384(16) .
C8 C9 1.397(16) .
C8 C12 1.489(13) .
C9 C10 1.392(13) .
C10 C11 1.405(16) .
C12 O1 1.255(16) .
C12 O2 1.273(17) .
C13 N2 1.24(3) .
C13 C14 1.41(3) .
C13 C17' 1.87(4) .
C14 C15 1.31(3) .
C15 C23 1.464(16) .
C15 C16 1.51(3) .
C16 C17 1.38(2) .
C18 C23 1.32(2) .
C18 C19 1.44(2) .
C19 C20 1.32(2) .
C20 C21 1.31(3) .
C20 C24 1.76(3) .
C21 C22 1.36(2) .
C22 C23 1.47(2) .
C24 O4 1.06(2) .
C24 O3 1.23(2) .
C25 N3 1.327(14) .
C25 C26 1.387(14) .
C26 C27 1.412(16) .
C27 C28 1.387(16) .
C27 C35 1.487(12) .
C28 C29 1.371(14) .
C29 N3 1.327(13) .
C30 C31 1.387(12) .
C30 C35 1.423(15) .
C31 C32 1.399(14) .
C32 C33 1.398(15) .
C32 C36 1.513(12) .
C33 C34 1.398(12) .
C34 C35 1.384(15) .
C36 O6 1.205(14) .
C36 O5 1.253(14) .
C37 N4 1.26(2) .
C37 C38 1.52(3) .
C37 C41 2.01(3) .
C38 C39 1.22(3) .
C39 C40 1.29(3) .
C39 C47 1.60(3) .
C40 C41 1.36(2) .
C41 N4 1.29(2) .
C42 C43 1.33(2) .
C42 C47 1.34(3) .
C43 C44 1.48(3) .
C44 C45 1.41(3) .
C44 C48 1.50(2) .
C45 C46 1.40(2) .
C46 C47 1.40(3) .
C48 O7 1.19(2) .
C48 O8 1.30(2) .
C49 N5 1.327(17) .
C49 C50 1.367(15) .
C50 C51 1.382(15) .
C51 C52 1.402(16) .
C51 C59 1.484(12) .
C52 C53 1.363(15) .
C53 N5 1.357(16) .
C54 C55 1.386(14) .
C54 C59 1.392(16) .
C55 C56 1.392(15) .
C56 C57 1.398(14) .
C56 C60 1.513(13) .
C57 C58 1.381(12) .
C58 C59 1.390(14) .
C60 O9 1.216(14) .
C60 O10 1.249(13) .
C61 N6 1.348(13) .
C61 C62 1.377(11) .
C62 C63 1.399(13) .
C63 C64 1.412(14) .
C63 C71 1.467(11) .
C64 C65 1.379(11) .
C65 N6 1.355(12) .
C66 C67 1.390(11) .
C66 C71 1.411(13) .
C67 C68 1.389(14) .
C68 C69 1.388(14) .
C68 C72 1.508(11) .
C69 C70 1.385(13) .
C70 C71 1.379(14) .
C72 O12 1.243(14) .
C72 O11 1.264(14) .
N1 Cu1 2.053(7) 2_567
N2 C17 1.49(2) .
N3 Cu3 2.056(7) 1_544
N4 Cu4 2.026(9) 2_666
Cl Cl' 0.875(16) .
Cl O19 1.18(2) .
Cl O20 1.39(2) .
Cl O18 1.63(3) .
Cl O17 2.09(4) .
Cl' O17 1.29(3) .
Cl' O18 1.38(2) .
Cl' O20 1.428(19) .
Cl' O19 1.62(2) .
O2 Sm1 2.302(12) 1_455
O5 Sm3 2.359(8) 1_655
O5 Sm1 2.860(9) 2_656
O10 Sm3 2.599(10) 2_556
O15 Sm3 2.361(8) 2_556
O14 C73 1.43(4) .
O16 Sm3 2.360(10) 2_556
O13 C73 1.30(4) .
C73 C74 1.58(5) .
I4 Cu4 2.6832(16) 2_677
