#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305035.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_4305035
loop_
_publ_author_name
'Jian-Wen Cheng'
'Shou-Tian Zheng'
'Guo-Yu Yang'
_publ_section_title
;
Incorporating Distinct Metal Clusters To Construct Diversity of 3D
Pillared-Layer Lanthanide-Transition-Metal Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4930
_journal_page_last               4935
_journal_paper_doi               10.1021/ic800221j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C42 H42 Cu7 I6 N7 O21 Sm2'
_chemical_formula_weight         2487.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 99.022(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.0807(5)
_cell_length_b                   24.8237(18)
_cell_length_c                   18.1874(12)
_cell_measurement_reflns_used    7841
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.4102
_cell_volume                     3157.2(4)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_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  0.0341
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24637
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.144
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_refine_diff_density_max         1.621
_refine_diff_density_min         -1.640
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0366P)²+12.8119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0929
_refine_ls_wR_factor_ref         0.0976
_reflns_number_gt                6457
_reflns_number_total             7389
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800221j-file002_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305035
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm Sm 0.21755(5) 0.402620(12) -0.984331(16) 0.02777(9) Uani 1 1 d . . .
Cu1 Cu -0.24945(15) 0.31649(6) -0.55362(6) 0.0692(4) Uani 1 1 d . . .
Cu2 Cu -0.23019(19) 0.2500 -0.43285(7) 0.0433(3) Uani 1 2 d S . .
Cu3 Cu -0.17511(14) 0.41957(4) -0.43904(5) 0.0445(2) Uani 1 1 d . . .
Cu4 Cu -0.37790(14) 0.50784(4) -0.54483(5) 0.0433(2) Uani 1 1 d . . .
I1 I -0.52586(9) 0.2500 -0.55746(4) 0.03747(15) Uani 1 2 d S . .
I2 I 0.01945(6) 0.329805(16) -0.44317(2) 0.03250(11) Uani 1 1 d . . .
I3 I -0.50937(6) 0.410528(15) -0.52974(2) 0.03148(10) Uani 1 1 d . . .
I4 I 0.0000 0.5000 -0.5000 0.0599(2) Uani 1 2 d S . .
C1 C 0.0529(11) 0.3645(3) -0.8562(4) 0.0402(16) Uani 1 1 d . . .
C2 C -0.0246(10) 0.3522(3) -0.7851(4) 0.0358(15) Uani 1 1 d . . .
C3 C -0.2139(12) 0.3421(4) -0.7844(4) 0.058(2) Uani 1 1 d . . .
H3A H -0.3001 0.3417 -0.8286 0.070 Uiso 1 1 calc R . .
C4 C -0.2761(12) 0.3323(4) -0.7166(4) 0.061(2) Uani 1 1 d . . .
H4A H -0.4053 0.3253 -0.7169 0.073 Uiso 1 1 calc R . .
C5 C 0.0238(11) 0.3432(4) -0.6530(4) 0.055(2) Uani 1 1 d . . .
H5A H 0.1074 0.3441 -0.6082 0.065 Uiso 1 1 calc R . .
C6 C 0.0961(11) 0.3530(4) -0.7171(4) 0.053(2) Uani 1 1 d . . .
H6A H 0.2257 0.3601 -0.7152 0.064 Uiso 1 1 calc R . .
C7 C -0.6362(16) 0.2500 -0.1432(6) 0.039(2) Uani 1 2 d S . .
C8 C -0.5338(14) 0.2500 -0.2122(5) 0.035(2) Uani 1 2 d S . .
C9 C -0.6374(13) 0.2500 -0.2829(5) 0.041(2) Uani 1 2 d S . .
H9A H -0.7703 0.2500 -0.2894 0.049 Uiso 1 2 calc SR . .
C10 C -0.5443(14) 0.2500 -0.3441(5) 0.044(2) Uani 1 2 d S . .
H10A H -0.6173 0.2500 -0.3913 0.053 Uiso 1 2 calc SR . .
C11 C -0.2541(14) 0.2500 -0.2705(5) 0.043(2) Uani 1 2 d S . .
H11A H -0.1213 0.2500 -0.2651 0.052 Uiso 1 2 calc SR . .
C12 C -0.3373(15) 0.2500 -0.2067(6) 0.044(2) Uani 1 2 d S . .
H12A H -0.2610 0.2500 -0.1601 0.053 Uiso 1 2 calc SR . .
C13 C -0.1405(9) 0.4725(3) -0.0965(3) 0.0306(13) Uani 1 1 d . . .
C14 C -0.1455(8) 0.4595(2) -0.1778(3) 0.0256(12) Uani 1 1 d . . .
C15 C -0.1770(10) 0.4996(2) -0.2310(3) 0.0330(14) Uani 1 1 d . . .
H15A H -0.1970 0.5349 -0.2171 0.040 Uiso 1 1 calc R . .
C16 C -0.1788(10) 0.4870(3) -0.3047(4) 0.0351(14) Uani 1 1 d . . .
H16A H -0.1968 0.5147 -0.3395 0.042 Uiso 1 1 calc R . .
C17 C -0.1281(10) 0.3988(2) -0.2774(4) 0.0326(14) Uani 1 1 d . . .
H17A H -0.1121 0.3637 -0.2930 0.039 Uiso 1 1 calc R . .
C18 C -0.1211(9) 0.4075(2) -0.2024(3) 0.0310(13) Uani 1 1 d . . .
H18A H -0.1004 0.3790 -0.1688 0.037 Uiso 1 1 calc R . .
C19 C -0.3264(9) 0.5669(3) -0.8775(3) 0.0333(14) Uani 1 1 d . . .
C20 C -0.3454(8) 0.5521(3) -0.7987(3) 0.0282(13) Uani 1 1 d . . .
C21 C -0.3243(10) 0.5000(3) -0.7738(3) 0.0356(15) Uani 1 1 d . . .
H21A H -0.3024 0.4724 -0.8060 0.043 Uiso 1 1 calc R . .
C22 C -0.3360(10) 0.4890(3) -0.7003(4) 0.0386(15) Uani 1 1 d . . .
H22A H -0.3192 0.4537 -0.6835 0.046 Uiso 1 1 calc R . .
C23 C -0.3894(10) 0.5775(3) -0.6763(4) 0.0355(15) Uani 1 1 d . . .
H23A H -0.4126 0.6043 -0.6432 0.043 Uiso 1 1 calc R . .
C24 C -0.3761(10) 0.5918(3) -0.7485(4) 0.0369(15) Uani 1 1 d . . .
H24A H -0.3875 0.6276 -0.7632 0.044 Uiso 1 1 calc R . .
N1 N -0.1605(8) 0.3325(3) -0.6513(3) 0.0429(14) Uani 1 1 d . . .
N2 N -0.3514(11) 0.2500 -0.3386(4) 0.0335(17) Uani 1 2 d S . .
N3 N -0.1559(8) 0.4367(2) -0.3288(3) 0.0316(11) Uani 1 1 d . . .
N4 N -0.3706(7) 0.5272(2) -0.6521(3) 0.0333(12) Uani 1 1 d . . .
O1 O -0.0605(8) 0.3737(3) -0.9141(3) 0.0583(15) Uani 1 1 d . . .
OW1 O 0.4404(11) 0.3215(2) -0.9654(3) 0.076(2) Uani 1 1 d . . .
O2 O 0.2310(8) 0.3664(2) -0.8536(3) 0.0548(14) Uani 1 1 d . . .
OW2 O 0.5564(7) 0.4281(2) -0.9428(3) 0.0446(12) Uani 1 1 d . . .
O3 O -0.8099(11) 0.2500 -0.1528(5) 0.060(2) Uani 1 2 d S . .
OW3 O 0.0583(10) 0.3206(2) -1.0454(4) 0.0684(18) Uani 1 1 d . . .
O4 O -0.5314(12) 0.2500 -0.0816(4) 0.0494(18) Uani 1 2 d S . .
OW4 O -0.167(2) 0.2500 -0.9825(12) 0.078(6) Uani 0.50 2 d SP . .
O5 O -0.2070(7) 0.51732(18) -0.0817(2) 0.0397(11) Uani 1 1 d . . .
OW5 O 0.3721(19) 0.2500 -0.8417(7) 0.033(3) Uani 0.50 2 d SP . .
O6 O -0.0747(7) 0.43776(18) -0.0497(2) 0.0377(11) Uani 1 1 d . . .
O7 O -0.3021(7) 0.52971(18) -0.9226(2) 0.0382(11) Uani 1 1 d . . .
O8 O -0.3267(8) 0.61494(19) -0.8957(3) 0.0445(12) 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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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
O5 Sm O6 81.35(16) 3_564 1_554 ?
O5 Sm O8 130.33(16) 3_564 3_563 ?
O6 Sm O8 89.51(16) 1_554 3_563 ?
O5 Sm OW2 74.56(17) 3_564 . ?
O6 Sm OW2 141.32(16) 1_554 . ?
O8 Sm OW2 83.78(17) 3_563 . ?
O5 Sm OW3 151.00(19) 3_564 . ?
O6 Sm OW3 77.3(2) 1_554 . ?
O8 Sm OW3 69.21(18) 3_563 . ?
OW2 Sm OW3 133.58(19) . . ?
O5 Sm O7 78.92(15) 3_564 3_563 ?
O6 Sm O7 72.57(16) 1_554 3_563 ?
O8 Sm O7 51.95(14) 3_563 3_563 ?
OW2 Sm O7 73.41(16) . 3_563 ?
OW3 Sm O7 112.45(18) . 3_563 ?
O5 Sm O2 79.53(18) 3_564 . ?
O6 Sm O2 120.04(16) 1_554 . ?
O8 Sm O2 142.95(17) 3_563 . ?
OW2 Sm O2 84.99(17) . . ?
OW3 Sm O2 94.4(2) . . ?
O7 Sm O2 152.80(18) 3_563 . ?
O5 Sm OW1 132.36(19) 3_564 . ?
O6 Sm OW1 145.81(19) 1_554 . ?
O8 Sm OW1 72.93(18) 3_563 . ?
OW2 Sm OW1 67.1(2) . . ?
OW3 Sm OW1 69.1(2) . . ?
O7 Sm OW1 114.2(2) 3_563 . ?
O2 Sm OW1 70.16(19) . . ?
O5 Sm O1 83.94(18) 3_564 . ?
O6 Sm O1 71.48(16) 1_554 . ?
O8 Sm O1 138.58(18) 3_563 . ?
OW2 Sm O1 133.54(17) . . ?
OW3 Sm O1 70.82(19) . . ?
O7 Sm O1 142.01(17) 3_563 . ?
O2 Sm O1 50.39(17) . . ?
OW1 Sm O1 102.4(2) . . ?
O5 Sm C19 105.28(18) 3_564 3_563 ?
O6 Sm C19 78.24(17) 1_554 3_563 ?
O8 Sm C19 25.73(17) 3_563 3_563 ?
OW2 Sm C19 79.51(18) . 3_563 ?
OW3 Sm C19 89.4(2) . 3_563 ?
O7 Sm C19 26.39(16) 3_563 3_563 ?
O2 Sm C19 161.72(18) . 3_563 ?
OW1 Sm C19 94.7(2) . 3_563 ?
O1 Sm C19 146.64(18) . 3_563 ?
O5 Sm C1 79.39(18) 3_564 . ?
O6 Sm C1 95.32(19) 1_554 . ?
O8 Sm C1 150.26(17) 3_563 . ?
OW2 Sm C1 109.12(19) . . ?
OW3 Sm C1 83.2(2) . . ?
O7 Sm C1 156.51(17) 3_563 . ?
O2 Sm C1 25.34(18) . . ?
OW1 Sm C1 87.3(2) . . ?
O1 Sm C1 25.14(18) . . ?
C19 Sm C1 171.2(2) 3_563 . ?
N1 Cu1 I1 116.59(18) . . ?
N1 Cu1 I2 111.65(18) . . ?
I1 Cu1 I2 125.24(4) . . ?
N1 Cu1 Cu2 147.6(2) . . ?
I1 Cu1 Cu2 64.73(4) . . ?
I2 Cu1 Cu2 60.72(4) . . ?
N1 Cu1 I3 104.73(19) . . ?
I1 Cu1 I3 91.24(4) . . ?
I2 Cu1 I3 100.40(4) . . ?
Cu2 Cu1 I3 107.66(4) . . ?
N2 Cu2 I2 115.41(14) . . ?
N2 Cu2 I2 115.41(14) . 4_565 ?
I2 Cu2 I2 95.27(4) . 4_565 ?
N2 Cu2 Cu1 134.64(13) . 4_565 ?
I2 Cu2 Cu1 109.89(5) . 4_565 ?
I2 Cu2 Cu1 56.50(3) 4_565 4_565 ?
N2 Cu2 Cu1 134.64(13) . . ?
I2 Cu2 Cu1 56.50(3) . . ?
I2 Cu2 Cu1 109.89(5) 4_565 . ?
Cu1 Cu2 Cu1 74.28(7) 4_565 . ?
N2 Cu2 I1 108.5(2) . . ?
I2 Cu2 I1 110.89(4) . . ?
I2 Cu2 I1 110.89(4) 4_565 . ?
Cu1 Cu2 I1 54.55(4) 4_565 . ?
Cu1 Cu2 I1 54.55(4) . . ?
N3 Cu3 I2 104.55(15) . . ?
N3 Cu3 I3 122.82(15) . . ?
I2 Cu3 I3 109.18(3) . . ?
N3 Cu3 I4 106.77(15) . . ?
I2 Cu3 I4 109.96(3) . . ?
I3 Cu3 I4 103.27(3) . . ?
N4 Cu4 Cu4 140.07(16) . 3_464 ?
N4 Cu4 I3 112.63(16) . . ?
Cu4 Cu4 I3 60.74(3) 3_464 . ?
N4 Cu4 I3 111.75(16) . 3_464 ?
Cu4 Cu4 I3 60.26(4) 3_464 3_464 ?
I3 Cu4 I3 120.99(3) . 3_464 ?
N4 Cu4 I4 97.79(15) . . ?
Cu4 Cu4 I4 122.14(5) 3_464 . ?
I3 Cu4 I4 104.81(3) . . ?
I3 Cu4 I4 105.57(3) 3_464 . ?
Cu1 I1 Cu1 80.56(7) . 4_565 ?
Cu1 I1 Cu2 60.73(3) . . ?
Cu1 I1 Cu2 60.73(3) 4_565 . ?
Cu1 I2 Cu3 78.66(4) . . ?
Cu1 I2 Cu2 62.79(4) . . ?
Cu3 I2 Cu2 105.68(3) . . ?
Cu4 I3 Cu4 59.01(3) . 3_464 ?
Cu4 I3 Cu3 72.08(3) . . ?
Cu4 I3 Cu3 85.87(3) 3_464 . ?
Cu4 I3 Cu1 117.35(3) . . ?
Cu4 I3 Cu1 154.53(3) 3_464 . ?
Cu3 I3 Cu1 69.89(3) . . ?
Cu4 I4 Cu4 180.00(4) . 3_564 ?
Cu4 I4 Cu3 71.05(3) . . ?
Cu4 I4 Cu3 108.95(3) 3_564 . ?
Cu4 I4 Cu3 108.95(3) . 3_564 ?
Cu4 I4 Cu3 71.05(3) 3_564 3_564 ?
Cu3 I4 Cu3 180.00(3) . 3_564 ?
O1 C1 O2 122.5(6) . . ?
O1 C1 C2 119.3(7) . . ?
O2 C1 C2 118.2(6) . . ?
O1 C1 Sm 63.2(4) . . ?
O2 C1 Sm 59.6(3) . . ?
C2 C1 Sm 172.1(5) . . ?
C3 C2 C6 117.6(6) . . ?
C3 C2 C1 122.2(7) . . ?
C6 C2 C1 120.2(6) . . ?
C2 C3 C4 119.1(7) . . ?
N1 C4 C3 123.6(7) . . ?
N1 C5 C6 123.6(7) . . ?
C5 C6 C2 119.8(7) . . ?
O3 C7 O4 125.2(9) . . ?
O3 C7 C8 118.5(10) . . ?
O4 C7 C8 116.3(9) . . ?
C9 C8 C12 116.8(8) . . ?
C9 C8 C7 120.6(9) . . ?
C12 C8 C7 122.5(9) . . ?
C8 C9 C10 120.1(9) . . ?
N2 C10 C9 123.0(9) . . ?
N2 C11 C12 124.0(9) . . ?
C8 C12 C11 119.8(10) . . ?
O6 C13 O5 125.4(6) . . ?
O6 C13 C14 117.9(5) . . ?
O5 C13 C14 116.6(5) . . ?
C15 C14 C18 117.3(5) . . ?
C15 C14 C13 120.6(5) . . ?
C18 C14 C13 122.0(5) . . ?
C16 C15 C14 119.7(6) . . ?
N3 C16 C15 123.2(6) . . ?
N3 C17 C18 124.8(6) . . ?
C17 C18 C14 118.6(6) . . ?
O8 C19 O7 121.5(6) . . ?
O8 C19 C20 119.6(6) . . ?
O7 C19 C20 118.8(6) . . ?
O8 C19 Sm 59.7(3) . 3_563 ?
O7 C19 Sm 62.4(3) . 3_563 ?
C20 C19 Sm 169.4(4) . 3_563 ?
C21 C20 C24 118.3(6) . . ?
C21 C20 C19 121.5(6) . . ?
C24 C20 C19 120.1(6) . . ?
C20 C21 C22 119.1(6) . . ?
N4 C22 C21 122.6(6) . . ?
N4 C23 C24 122.8(6) . . ?
C23 C24 C20 119.2(6) . . ?
C4 N1 C5 116.4(6) . . ?
C4 N1 Cu1 123.5(5) . . ?
C5 N1 Cu1 120.1(5) . . ?
C11 N2 C10 116.3(8) . . ?
C11 N2 Cu2 124.3(6) . . ?
C10 N2 Cu2 119.4(7) . . ?
C17 N3 C16 116.3(5) . . ?
C17 N3 Cu3 122.0(4) . . ?
C16 N3 Cu3 121.6(4) . . ?
C23 N4 C22 118.0(5) . . ?
C23 N4 Cu4 122.0(4) . . ?
C22 N4 Cu4 119.9(4) . . ?
C1 O1 Sm 91.6(4) . . ?
C1 O2 Sm 95.1(4) . . ?
C13 O5 Sm 155.7(4) . 3_564 ?
C13 O6 Sm 142.6(4) . 1_556 ?
C19 O7 Sm 91.2(4) . 3_563 ?
C19 O8 Sm 94.6(4) . 3_563 ?
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
Sm O5 2.329(4) 3_564 ?
Sm O6 2.384(5) 1_554 ?
Sm O8 2.464(4) 3_563 ?
Sm OW2 2.481(5) . ?
Sm OW3 2.501(6) . ?
Sm O7 2.522(4) 3_563 ?
Sm O2 2.530(5) . ?
Sm OW1 2.549(6) . ?
Sm O1 2.610(5) . ?
Sm C19 2.845(6) 3_563 ?
Sm C1 2.922(6) . ?
Cu1 N1 2.015(5) . ?
Cu1 I1 2.5528(12) . ?
Cu1 I2 2.5632(12) . ?
Cu1 Cu2 2.7337(15) . ?
Cu1 I3 3.0457(15) . ?
Cu2 N2 2.034(7) . ?
Cu2 I2 2.6811(9) . ?
Cu2 I2 2.6811(9) 4_565 ?
Cu2 Cu1 2.7337(15) 4_565 ?
Cu2 I1 2.8339(16) . ?
Cu3 N3 2.032(5) . ?
Cu3 I2 2.6271(10) . ?
Cu3 I3 2.6737(11) . ?
Cu3 I4 2.6802(9) . ?
Cu4 N4 2.018(5) . ?
Cu4 Cu4 2.5854(16) 3_464 ?
Cu4 I3 2.6186(10) . ?
Cu4 I3 2.6311(10) 3_464 ?
Cu4 I4 2.6792(10) . ?
I1 Cu1 2.5528(12) 4_565 ?
I3 Cu4 2.6311(10) 3_464 ?
I4 Cu4 2.6792(10) 3_564 ?
I4 Cu3 2.6802(9) 3_564 ?
C1 O1 1.242(8) . ?
C1 O2 1.255(9) . ?
C1 C2 1.513(8) . ?
C2 C3 1.366(10) . ?
C2 C6 1.388(10) . ?
C3 C4 1.396(10) . ?
C4 N1 1.333(9) . ?
C5 N1 1.337(9) . ?
C5 C6 1.366(9) . ?
C7 O3 1.215(13) . ?
C7 O4 1.243(12) . ?
C7 C8 1.544(12) . ?
C8 C9 1.377(14) . ?
C8 C12 1.380(14) . ?
C9 C10 1.380(13) . ?
C10 N2 1.353(12) . ?
C11 N2 1.320(12) . ?
C11 C12 1.381(13) . ?
C13 O6 1.249(7) . ?
C13 O5 1.253(7) . ?
C13 C14 1.509(8) . ?
C14 C15 1.381(8) . ?
C14 C18 1.386(8) . ?
C15 C16 1.374(9) . ?
C16 N3 1.342(8) . ?
C17 N3 1.320(8) . ?
C17 C18 1.373(8) . ?
C19 O8 1.239(8) . ?
C19 O7 1.265(8) . ?
C19 C20 1.505(8) . ?
C19 Sm 2.845(6) 3_563 ?
C20 C21 1.371(8) . ?
C20 C24 1.383(9) . ?
C21 C22 1.380(9) . ?
C22 N4 1.340(8) . ?
C23 N4 1.322(8) . ?
C23 C24 1.377(8) . ?
O5 Sm 2.329(4) 3_564 ?
O6 Sm 2.384(5) 1_556 ?
O7 Sm 2.522(4) 3_563 ?
O8 Sm 2.464(4) 3_563 ?
