#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:37:28 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180346 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/15/7201573.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_7201573
loop_
_publ_author_name
'Bo, Qi-Bing'
'Sun, Zhong-Xi'
'Forsling, Willis'
_publ_section_title
;
 A new family of 3D 3d--4f heterometallic frameworks comprising 1D
 inorganic lanthanide ladders and organic CuI-bipyridine chains
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              232
_journal_paper_doi               10.1039/b710786b
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C34 H30 Cu2 N6 O20 S2 Sm2'
_chemical_formula_weight         1334.54
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.447(3)
_cell_angle_beta                 93.032(3)
_cell_angle_gamma                95.620(3)
_cell_formula_units_Z            1
_cell_length_a                   6.3467(16)
_cell_length_b                   12.237(3)
_cell_length_c                   13.363(4)
_cell_measurement_reflns_used    3711
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.205
_cell_measurement_theta_min      2.435
_cell_volume                     1021.9(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0772
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5170
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    4.051
_exptl_absorpt_correction_T_max  0.3482
_exptl_absorpt_correction_T_min  0.1879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.169
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             650
_exptl_crystal_size_max          0.62
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.33
_refine_diff_density_max         1.882
_refine_diff_density_min         -3.240
_refine_diff_density_rms         0.290
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3471
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0664
_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)+(0.1236P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1701
_refine_ls_wR_factor_ref         0.1782
_reflns_number_gt                3037
_reflns_number_total             3471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710786b.txt
_cod_data_source_block           061122d
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_original_sg_symbol_H-M      P-1
_cod_database_code               7201573
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
_atom_site_disorder_assembly
_atom_site_disorder_group
O8 O 0.0564(9) 0.6753(5) 0.4970(5) 0.0165(14) Uani 1 1 d U . .
O7 O 0.0093(10) 0.5428(5) 0.3524(5) 0.0207(14) Uani 1 1 d . . .
Sm1 Sm 0.68260(6) 0.62180(3) 0.42820(3) 0.0126(2) Uani 1 1 d . . .
Cu1 Cu 0.7459(4) 0.76889(16) 0.05788(15) 0.0675(6) Uani 1 1 d . . .
N1 N 0.7152(11) 0.8300(6) 0.4667(6) 0.0156(16) Uani 1 1 d . . .
N2 N 0.486(3) 0.6730(12) 0.0373(10) 0.073(3) Uani 1 1 d U . .
N3 N 1.016(2) 0.8450(12) 0.0324(9) 0.068(2) Uani 1 1 d U . .
O1 O 0.7552(10) 0.7206(6) 0.2900(5) 0.0230(15) Uani 1 1 d . . .
O2 O 0.7339(16) 0.8703(7) 0.2122(6) 0.046(2) Uani 1 1 d . . .
O3 O 0.6467(11) 0.6970(6) 0.5998(5) 0.0273(16) Uani 1 1 d . . .
O4 O 0.624(2) 0.8335(9) 0.7224(8) 0.073(3) Uani 1 1 d U . .
O5 O 0.3284(10) 0.6757(5) 0.3746(5) 0.0207(15) Uani 1 1 d . . .
O6 O 0.3042(10) 0.5343(5) 0.4760(5) 0.0200(15) Uani 1 1 d . . .
O9 O 0.5631(12) 0.4623(6) 0.2999(5) 0.0297(17) Uani 1 1 d . . .
H18 H 0.5022 0.4066 0.3242 0.045 Uiso 1 1 d R . .
H19 H 0.6892 0.4458 0.2889 0.045 Uiso 1 1 d R . .
O10 O 0.8425(19) 0.2919(9) 0.2843(8) 0.074(3) Uani 1 1 d . . .
H20 H 0.8844 0.2879 0.3459 0.111 Uiso 1 1 d R . .
H21 H 0.8018 0.3571 0.2865 0.111 Uiso 1 1 d R . .
S1 S 0.1724(3) 0.60709(17) 0.42337(16) 0.0123(5) Uani 1 1 d . . .
C1 C 0.7459(15) 0.8228(8) 0.2895(8) 0.022(2) Uani 1 1 d . . .
C2 C 0.7421(14) 0.8904(7) 0.3916(8) 0.018(2) Uani 1 1 d . . .
C3 C 0.7617(17) 1.0052(9) 0.4096(10) 0.031(3) Uani 1 1 d . . .
H3 H 0.7750 1.0465 0.3561 0.038 Uiso 1 1 calc R . .
C4 C 0.7613(16) 1.0572(9) 0.5060(10) 0.035(3) Uani 1 1 d . . .
H4 H 0.7794 1.1341 0.5195 0.042 Uiso 1 1 calc R . .
C5 C 0.7332(15) 0.9930(8) 0.5844(9) 0.028(3) Uani 1 1 d . . .
H5 H 0.7341 1.0267 0.6510 0.034 Uiso 1 1 calc R . .
C6 C 0.7039(14) 0.8777(8) 0.5617(8) 0.022(2) Uani 1 1 d . . .
C7 C 0.6579(18) 0.7974(8) 0.6342(8) 0.026(2) Uani 1 1 d . . .
C8 C 0.379(3) 0.6445(16) 0.1125(13) 0.085(3) Uani 1 1 d U . .
H8 H 0.4356 0.6706 0.1779 0.102 Uiso 1 1 calc R . .
C9 C 0.180(4) 0.5758(16) 0.1013(13) 0.084(3) Uani 1 1 d U . .
H9 H 0.1084 0.5603 0.1577 0.101 Uiso 1 1 calc R . .
C10 C 0.099(3) 0.5347(14) 0.0081(11) 0.073(3) Uani 1 1 d U . .
C11 C 0.214(3) 0.5652(17) -0.0706(12) 0.082(3) Uani 1 1 d U . .
H11 H 0.1662 0.5373 -0.1368 0.099 Uiso 1 1 calc R . .
C12 C 0.399(3) 0.6368(16) -0.0524(12) 0.082(3) Uani 1 1 d U . .
H12 H 0.4642 0.6604 -0.1077 0.099 Uiso 1 1 calc R . .
C13 C 1.142(3) 0.8951(17) 0.1068(13) 0.081(3) Uani 1 1 d U . .
H13 H 1.1045 0.8870 0.1719 0.097 Uiso 1 1 calc R . .
C14 C 1.329(3) 0.9599(17) 0.0973(12) 0.079(3) Uani 1 1 d U . .
H14 H 1.4069 0.9980 0.1544 0.095 Uiso 1 1 calc R . .
C15 C 1.397(3) 0.9672(14) 0.0067(11) 0.067(3) Uani 1 1 d U . .
C16 C 1.273(3) 0.9115(16) -0.0721(13) 0.079(3) Uani 1 1 d U . .
H16 H 1.3172 0.9130 -0.1372 0.095 Uiso 1 1 calc R . .
C17 C 1.087(3) 0.8536(16) -0.0592(12) 0.078(3) Uani 1 1 d U . .
H17 H 1.0049 0.8184 -0.1160 0.094 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
S1 O8 Sm1 101.1(3) . 1_455 ?
S1 O7 Sm1 98.2(3) . 1_455 ?
O1 Sm1 O3 127.5(2) . . ?
O1 Sm1 O6 154.7(2) . 2_666 ?
O3 Sm1 O6 74.8(2) . 2_666 ?
O1 Sm1 O9 86.0(2) . . ?
O3 Sm1 O9 142.8(2) . . ?
O6 Sm1 O9 77.4(2) 2_666 . ?
O1 Sm1 O8 89.0(2) . 1_655 ?
O3 Sm1 O8 76.5(2) . 1_655 ?
O6 Sm1 O8 85.1(2) 2_666 1_655 ?
O9 Sm1 O8 125.1(2) . 1_655 ?
O1 Sm1 O5 76.5(2) . . ?
O3 Sm1 O5 91.4(2) . . ?
O6 Sm1 O5 118.7(2) 2_666 . ?
O9 Sm1 O5 80.6(2) . . ?
O8 Sm1 O5 149.9(2) 1_655 . ?
O1 Sm1 N1 64.0(2) . . ?
O3 Sm1 N1 63.6(2) . . ?
O6 Sm1 N1 136.9(2) 2_666 . ?
O9 Sm1 N1 144.7(3) . . ?
O8 Sm1 N1 75.2(2) 1_655 . ?
O5 Sm1 N1 74.7(2) . . ?
O1 Sm1 O7 74.7(2) . 1_655 ?
O3 Sm1 O7 127.6(2) . 1_655 ?
O6 Sm1 O7 81.8(2) 2_666 1_655 ?
O9 Sm1 O7 71.0(2) . 1_655 ?
O8 Sm1 O7 55.1(2) 1_655 1_655 ?
O5 Sm1 O7 140.6(2) . 1_655 ?
N1 Sm1 O7 114.6(2) . 1_655 ?
O1 Sm1 O6 127.3(2) . . ?
O3 Sm1 O6 74.0(2) . . ?
O6 Sm1 O6 65.4(2) 2_666 . ?
O9 Sm1 O6 72.2(2) . . ?
O8 Sm1 O6 142.6(2) 1_655 . ?
O5 Sm1 O6 53.4(2) . . ?
N1 Sm1 O6 110.5(2) . . ?
O7 Sm1 O6 134.9(2) 1_655 . ?
O1 Sm1 S1 80.37(16) . 1_655 ?
O3 Sm1 S1 102.52(18) . 1_655 ?
O6 Sm1 S1 83.18(15) 2_666 1_655 ?
O9 Sm1 S1 98.16(18) . 1_655 ?
O8 Sm1 S1 27.60(14) 1_655 1_655 ?
O5 Sm1 S1 156.84(16) . 1_655 ?
N1 Sm1 S1 94.87(17) . 1_655 ?
O7 Sm1 S1 27.47(15) 1_655 1_655 ?
O6 Sm1 S1 148.32(14) . 1_655 ?
N2 Cu1 N3 160.8(6) . . ?
N2 Cu1 O2 105.6(5) . . ?
N3 Cu1 O2 93.4(4) . . ?
C2 N1 C6 121.2(8) . . ?
C2 N1 Sm1 119.2(6) . . ?
C6 N1 Sm1 119.6(6) . . ?
C12 N2 C8 115.6(18) . . ?
C12 N2 Cu1 122.0(14) . . ?
C8 N2 Cu1 122.3(12) . . ?
C13 N3 C17 114.4(17) . . ?
C13 N3 Cu1 120.2(13) . . ?
C17 N3 Cu1 125.3(12) . . ?
C1 O1 Sm1 125.7(6) . . ?
C1 O2 Cu1 118.9(8) . . ?
C7 O3 Sm1 126.3(7) . . ?
S1 O5 Sm1 105.7(3) . . ?
S1 O6 Sm1 148.2(4) . 2_666 ?
S1 O6 Sm1 97.1(3) . . ?
Sm1 O6 Sm1 114.6(2) 2_666 . ?
Sm1 O9 H18 113.8 . . ?
Sm1 O9 H19 94.4 . . ?
H18 O9 H19 105.3 . . ?
H20 O10 H21 104.0 . . ?
O7 S1 O5 113.5(4) . . ?
O7 S1 O8 105.6(4) . . ?
O5 S1 O8 111.6(4) . . ?
O7 S1 O6 111.9(4) . . ?
O5 S1 O6 103.7(4) . . ?
O8 S1 O6 110.6(4) . . ?
O7 S1 Sm1 54.3(3) . 1_455 ?
O5 S1 Sm1 128.0(3) . 1_455 ?
O8 S1 Sm1 51.3(2) . 1_455 ?
O6 S1 Sm1 128.2(3) . 1_455 ?
O2 C1 O1 125.6(10) . . ?
O2 C1 C2 118.8(9) . . ?
O1 C1 C2 115.6(8) . . ?
N1 C2 C3 121.0(10) . . ?
N1 C2 C1 113.9(8) . . ?
C3 C2 C1 125.1(9) . . ?
C4 C3 C2 119.6(11) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C3 C4 C5 118.9(10) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 119.2(11) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
N1 C6 C5 119.8(10) . . ?
N1 C6 C7 113.8(8) . . ?
C5 C6 C7 126.4(10) . . ?
O4 C7 O3 124.5(10) . . ?
O4 C7 C6 118.8(9) . . ?
O3 C7 C6 116.7(9) . . ?
N2 C8 C9 124.6(16) . . ?
N2 C8 H8 117.7 . . ?
C9 C8 H8 117.7 . . ?
C10 C9 C8 118.5(19) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C9 C10 C11 116.4(18) . . ?
C9 C10 C10 121(2) . 2_565 ?
C11 C10 C10 122.5(17) . 2_565 ?
C10 C11 C12 121.0(15) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
N2 C12 C11 123.8(19) . . ?
N2 C12 H12 118.1 . . ?
C11 C12 H12 118.1 . . ?
N3 C13 C14 125.1(18) . . ?
N3 C13 H13 117.4 . . ?
C14 C13 H13 117.4 . . ?
C15 C14 C13 119.4(16) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 116.5(19) . . ?
C14 C15 C15 121.1(18) . 2_875 ?
C16 C15 C15 122.4(19) . 2_875 ?
C15 C16 C17 121.8(18) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
N3 C17 C16 122.5(16) . . ?
N3 C17 H17 118.7 . . ?
C16 C17 H17 118.7 . . ?
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
O8 S1 1.480(6) . ?
O8 Sm1 2.492(6) 1_455 ?
O7 S1 1.461(7) . ?
O7 Sm1 2.573(6) 1_455 ?
Sm1 O1 2.375(7) . ?
Sm1 O3 2.389(7) . ?
Sm1 O6 2.439(6) 2_666 ?
Sm1 O9 2.455(7) . ?
Sm1 O8 2.492(6) 1_655 ?
Sm1 O5 2.499(6) . ?
Sm1 N1 2.519(7) . ?
Sm1 O7 2.573(7) 1_655 ?
Sm1 O6 2.675(7) . ?
Sm1 S1 3.135(2) 1_655 ?
Cu1 N2 1.912(16) . ?
Cu1 N3 1.939(16) . ?
Cu1 O2 2.274(9) . ?
N1 C2 1.330(12) . ?
N1 C6 1.335(13) . ?
N2 C12 1.298(19) . ?
N2 C8 1.31(2) . ?
N3 C13 1.29(2) . ?
N3 C17 1.34(2) . ?
O1 C1 1.258(12) . ?
O2 C1 1.251(13) . ?
O3 C7 1.249(12) . ?
O4 C7 1.242(13) . ?
O5 S1 1.469(7) . ?
O6 S1 1.495(6) . ?
O6 Sm1 2.439(6) 2_666 ?
O9 H18 0.8600 . ?
O9 H19 0.8602 . ?
O10 H20 0.8600 . ?
O10 H21 0.8600 . ?
S1 Sm1 3.135(2) 1_455 ?
C1 C2 1.505(14) . ?
C2 C3 1.386(14) . ?
C3 C4 1.361(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(17) . ?
C4 H4 0.9300 . ?
C5 C6 1.397(14) . ?
C5 H5 0.9300 . ?
C6 C7 1.485(14) . ?
C8 C9 1.44(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.34(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.38(3) . ?
C10 C10 1.44(4) 2_565 ?
C11 C12 1.38(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.38(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.32(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.35(2) . ?
C15 C15 1.50(4) 2_875 ?
C16 C17 1.35(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Sm1 N1 C2 4.3(6) . . . . ?
O3 Sm1 N1 C2 -177.3(7) . . . . ?
O6 Sm1 N1 C2 166.3(5) 2_666 . . . ?
O9 Sm1 N1 C2 -30.4(8) . . . . ?
O8 Sm1 N1 C2 100.6(6) 1_655 . . . ?
O5 Sm1 N1 C2 -77.8(6) . . . . ?
O7 Sm1 N1 C2 61.2(7) 1_655 . . . ?
O6 Sm1 N1 C2 -118.3(6) . . . . ?
S1 Sm1 N1 C2 81.1(6) 1_655 . . . ?
O1 Sm1 N1 C6 -176.1(7) . . . . ?
O3 Sm1 N1 C6 2.2(6) . . . . ?
O6 Sm1 N1 C6 -14.1(8) 2_666 . . . ?
O9 Sm1 N1 C6 149.1(6) . . . . ?
O8 Sm1 N1 C6 -79.8(6) 1_655 . . . ?
O5 Sm1 N1 C6 101.7(6) . . . . ?
O7 Sm1 N1 C6 -119.2(6) 1_655 . . . ?
O6 Sm1 N1 C6 61.3(7) . . . . ?
S1 Sm1 N1 C6 -99.3(6) 1_655 . . . ?
N3 Cu1 N2 C12 -21(3) . . . . ?
O2 Cu1 N2 C12 152.0(15) . . . . ?
N3 Cu1 N2 C8 163.1(17) . . . . ?
O2 Cu1 N2 C8 -24.1(17) . . . . ?
N2 Cu1 N3 C13 -164.5(16) . . . . ?
O2 Cu1 N3 C13 22.5(15) . . . . ?
N2 Cu1 N3 C17 17(3) . . . . ?
O2 Cu1 N3 C17 -155.7(15) . . . . ?
O3 Sm1 O1 C1 -13.2(9) . . . . ?
O6 Sm1 O1 C1 -161.7(7) 2_666 . . . ?
O9 Sm1 O1 C1 149.4(8) . . . . ?
O8 Sm1 O1 C1 -85.3(8) 1_655 . . . ?
O5 Sm1 O1 C1 68.1(8) . . . . ?
N1 Sm1 O1 C1 -11.3(7) . . . . ?
O7 Sm1 O1 C1 -139.2(8) 1_655 . . . ?
O6 Sm1 O1 C1 85.4(8) . . . . ?
S1 Sm1 O1 C1 -111.6(8) 1_655 . . . ?
N2 Cu1 O2 C1 68.9(10) . . . . ?
N3 Cu1 O2 C1 -113.5(9) . . . . ?
O1 Sm1 O3 C7 1.8(10) . . . . ?
O6 Sm1 O3 C7 168.4(9) 2_666 . . . ?
O9 Sm1 O3 C7 -148.6(8) . . . . ?
O8 Sm1 O3 C7 79.9(9) 1_655 . . . ?
O5 Sm1 O3 C7 -72.2(9) . . . . ?
N1 Sm1 O3 C7 -0.1(8) . . . . ?
O7 Sm1 O3 C7 101.7(9) 1_655 . . . ?
O6 Sm1 O3 C7 -123.4(9) . . . . ?
S1 Sm1 O3 C7 89.2(8) 1_655 . . . ?
O1 Sm1 O5 S1 165.0(4) . . . . ?
O3 Sm1 O5 S1 -66.6(4) . . . . ?
O6 Sm1 O5 S1 6.8(5) 2_666 . . . ?
O9 Sm1 O5 S1 76.9(4) . . . . ?
O8 Sm1 O5 S1 -131.7(4) 1_655 . . . ?
N1 Sm1 O5 S1 -128.7(4) . . . . ?
O7 Sm1 O5 S1 120.9(4) 1_655 . . . ?
O6 Sm1 O5 S1 2.2(3) . . . . ?
S1 Sm1 O5 S1 165.8(2) 1_655 . . . ?
O1 Sm1 O6 S1 -23.2(4) . . . . ?
O3 Sm1 O6 S1 102.2(4) . . . . ?
O6 Sm1 O6 S1 -177.6(5) 2_666 . . . ?
O9 Sm1 O6 S1 -93.5(4) . . . . ?
O8 Sm1 O6 S1 141.3(3) 1_655 . . . ?
O5 Sm1 O6 S1 -2.1(3) . . . . ?
N1 Sm1 O6 S1 49.1(4) . . . . ?
O7 Sm1 O6 S1 -130.2(3) 1_655 . . . ?
S1 Sm1 O6 S1 -169.86(17) 1_655 . . . ?
O1 Sm1 O6 Sm1 154.4(3) . . . 2_666 ?
O3 Sm1 O6 Sm1 -80.3(3) . . . 2_666 ?
O6 Sm1 O6 Sm1 0.0 2_666 . . 2_666 ?
O9 Sm1 O6 Sm1 84.0(3) . . . 2_666 ?
O8 Sm1 O6 Sm1 -41.1(5) 1_655 . . 2_666 ?
O5 Sm1 O6 Sm1 175.5(4) . . . 2_666 ?
N1 Sm1 O6 Sm1 -133.3(3) . . . 2_666 ?
O7 Sm1 O6 Sm1 47.3(4) 1_655 . . 2_666 ?
S1 Sm1 O6 Sm1 7.7(5) 1_655 . . 2_666 ?
Sm1 O7 S1 O5 -120.9(3) 1_455 . . . ?
Sm1 O7 S1 O8 1.7(4) 1_455 . . . ?
Sm1 O7 S1 O6 122.1(3) 1_455 . . . ?
Sm1 O5 S1 O7 -124.9(4) . . . . ?
Sm1 O5 S1 O8 115.9(4) . . . . ?
Sm1 O5 S1 O6 -3.2(4) . . . . ?
Sm1 O5 S1 Sm1 172.96(10) . . . 1_455 ?
Sm1 O8 S1 O7 -1.8(4) 1_455 . . . ?
Sm1 O8 S1 O5 122.0(3) 1_455 . . . ?
Sm1 O8 S1 O6 -123.0(3) 1_455 . . . ?
Sm1 O6 S1 O7 -50.2(9) 2_666 . . . ?
Sm1 O6 S1 O7 125.6(3) . . . . ?
Sm1 O6 S1 O5 -172.9(7) 2_666 . . . ?
Sm1 O6 S1 O5 2.9(4) . . . . ?
Sm1 O6 S1 O8 67.3(8) 2_666 . . . ?
Sm1 O6 S1 O8 -116.9(3) . . . . ?
Sm1 O6 S1 Sm1 11.0(10) 2_666 . . 1_455 ?
Sm1 O6 S1 Sm1 -173.24(11) . . . 1_455 ?
Cu1 O2 C1 O1 -3.3(15) . . . . ?
Cu1 O2 C1 C2 178.9(6) . . . . ?
Sm1 O1 C1 O2 -162.0(8) . . . . ?
Sm1 O1 C1 C2 16.0(12) . . . . ?
C6 N1 C2 C3 0.7(13) . . . . ?
Sm1 N1 C2 C3 -179.7(7) . . . . ?
C6 N1 C2 C1 -178.6(8) . . . . ?
Sm1 N1 C2 C1 1.0(9) . . . . ?
O2 C1 C2 N1 168.0(9) . . . . ?
O1 C1 C2 N1 -10.1(12) . . . . ?
O2 C1 C2 C3 -11.3(15) . . . . ?
O1 C1 C2 C3 170.6(9) . . . . ?
N1 C2 C3 C4 2.5(15) . . . . ?
C1 C2 C3 C4 -178.3(9) . . . . ?
C2 C3 C4 C5 -2.3(15) . . . . ?
C3 C4 C5 C6 -0.8(14) . . . . ?
C2 N1 C6 C5 -3.9(13) . . . . ?
Sm1 N1 C6 C5 176.6(7) . . . . ?
C2 N1 C6 C7 175.8(8) . . . . ?
Sm1 N1 C6 C7 -3.8(10) . . . . ?
C4 C5 C6 N1 3.9(14) . . . . ?
C4 C5 C6 C7 -175.7(9) . . . . ?
Sm1 O3 C7 O4 174.8(10) . . . . ?
Sm1 O3 C7 C6 -1.8(13) . . . . ?
N1 C6 C7 O4 -173.2(11) . . . . ?
C5 C6 C7 O4 6.4(17) . . . . ?
N1 C6 C7 O3 3.6(13) . . . . ?
C5 C6 C7 O3 -176.8(10) . . . . ?
C12 N2 C8 C9 2(3) . . . . ?
Cu1 N2 C8 C9 177.8(15) . . . . ?
N2 C8 C9 C10 2(3) . . . . ?
C8 C9 C10 C11 -2(3) . . . . ?
C8 C9 C10 C10 180(2) . . . 2_565 ?
C9 C10 C11 C12 -2(3) . . . . ?
C10 C10 C11 C12 177(2) 2_565 . . . ?
C8 N2 C12 C11 -5(3) . . . . ?
Cu1 N2 C12 C11 178.4(15) . . . . ?
C10 C11 C12 N2 6(3) . . . . ?
C17 N3 C13 C14 4(3) . . . . ?
Cu1 N3 C13 C14 -174.0(15) . . . . ?
N3 C13 C14 C15 -5(3) . . . . ?
C13 C14 C15 C16 1(3) . . . . ?
C13 C14 C15 C15 -177.6(19) . . . 2_875 ?
C14 C15 C16 C17 2(3) . . . . ?
C15 C15 C16 C17 -179(2) 2_875 . . . ?
C13 N3 C17 C16 -1(3) . . . . ?
Cu1 N3 C17 C16 177.2(14) . . . . ?
C15 C16 C17 N3 -2(3) . . . . ?
