#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:18:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180256 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/42/7114209.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_7114209
loop_
_publ_author_name
'Murugesu, Muralee'
'Anson, Christopher E.'
'Powell, Annie K.'
_publ_section_title
;
 Engineering of ferrimagnetic Cu12-cluster arrays through supramolecular
 interactionsElectronic supplementary information (ESI) available: \cT vs.
 T plot for K+ salt 1b at magnetic fields of 1 and 10 kOe. See
 http://www.rsc.org/suppdata/cc/b2/b201585b/
;
_journal_issue                   10
_journal_name_full               'Chemical Communications'
_journal_page_first              1054
_journal_paper_doi               10.1039/b201585b
_journal_year                    2002
_chemical_formula_sum            'C86 H128 Cs4 Cu12 N8 O66'
_chemical_formula_weight         3624.08
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   18.7889(8)
_cell_length_b                   18.7889(8)
_cell_length_c                   19.0882(8)
_cell_measurement_reflns_used    13266
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      28.02
_cell_measurement_theta_min      2.17
_cell_volume                     5835.8(4)
_computing_cell_refinement       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_data_collection       'SMART-NT 5.6 (Bruker AXS Inc., 2000)'
_computing_data_reduction        'SAINT+ 6.0 (Bruker AXS Inc., 2000)'
_computing_molecular_graphics    'XP: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_publication_material  'XCIF: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_refinement  'XL: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_computing_structure_solution    'XS: SHELXTL 5.1 (Bruker AXS Inc., 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker SMART Apex'
_diffrn_measurement_method       'CCD area detector'
_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  0.0903
_diffrn_reflns_av_sigmaI/netI    0.0615
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29390
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.03
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.477
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker AXS Inc., 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.062
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3592
_refine_diff_density_max         9.138
_refine_diff_density_min         -1.891
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         4663
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_all          0.1295
_refine_ls_R_factor_gt           0.1013
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0517P)²+120.5317P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1974
_refine_ls_wR_factor_ref         0.2085
_reflns_number_gt                3516
_reflns_number_total             4663
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b201585b.txt
_cod_data_source_block           cs4cu12
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multiscan' changed to
'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_database_code               7114209
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.3333 0.6667 0.2500 0.0399(5) Uani 1 6 d S . .
Cs2A Cs 0.0785(5) 0.4659(3) 0.2500 0.0327(8) Uani 0.67 2 d SP . 1
Cs2B Cs 0.0770(11) 0.4832(8) 0.2500 0.0327(8) Uani 0.33 2 d SP . 2
Cu1 Cu 0.24250(7) 0.67619(7) 0.54154(6) 0.0169(3) Uani 1 1 d . . .
Cu2 Cu 0.11225(7) 0.50275(7) 0.67212(6) 0.0195(3) Uani 1 1 d . . .
O1 O 0.3333 0.6667 0.5862(6) 0.019(2) Uani 1 3 d S . .
C1 C 0.3333 0.6667 0.6618(9) 0.025(4) Uani 1 3 d S . .
H1A H 0.3789 0.6619 0.6786 0.037 Uiso 0.33 1 calc PR . .
H1B H 0.2829 0.6211 0.6786 0.037 Uiso 0.33 1 calc PR . .
H1C H 0.3381 0.7171 0.6786 0.037 Uiso 0.33 1 calc PR . .
O2 O 0.1184(6) 0.5691(6) 0.7500 0.023(2) Uani 1 2 d S . .
C2 C 0.1432(10) 0.6533(9) 0.7500 0.029(3) Uani 1 2 d S . .
H2A H 0.1404 0.6704 0.7968 0.043 Uiso 0.50 1 calc PR . .
H2B H 0.1075 0.6624 0.7201 0.043 Uiso 0.50 1 calc PR . .
H2C H 0.1986 0.6844 0.7331 0.043 Uiso 0.50 1 calc PR . .
O3 O 0.0929(7) 0.4312(6) 0.7500 0.028(2) Uani 1 2 d S . .
C3 C 0.1045(14) 0.3608(12) 0.7500 0.051(5) Uani 1 2 d S . .
H3A H 0.0916 0.3357 0.7045 0.076 Uiso 0.50 1 calc PR . .
H3B H 0.0690 0.3218 0.7843 0.076 Uiso 0.50 1 calc PR . .
H3C H 0.1607 0.3781 0.7612 0.076 Uiso 0.50 1 calc PR . .
N1 N 0.1572(5) 0.6861(5) 0.4832(4) 0.0196(17) Uani 1 1 d . . .
C4 C 0.1657(6) 0.7675(7) 0.4776(6) 0.027(2) Uani 1 1 d . . .
C5 C 0.2161(6) 0.8341(6) 0.5203(5) 0.022(2) Uani 1 1 d . . .
C6 C 0.2154(8) 0.9063(8) 0.5115(7) 0.041(3) Uani 1 1 d . . .
H6 H 0.2493 0.9508 0.5398 0.049 Uiso 1 1 calc R . .
C7 C 0.1672(9) 0.9158(8) 0.4631(8) 0.055(4) Uani 1 1 d . . .
H7 H 0.1667 0.9649 0.4597 0.066 Uiso 1 1 calc R . .
C8 C 0.1188(9) 0.8499(8) 0.4191(8) 0.050(4) Uani 1 1 d . . .
H8 H 0.0872 0.8556 0.3844 0.060 Uiso 1 1 calc R . .
C9 C 0.1178(7) 0.7780(7) 0.4264(6) 0.035(3) Uani 1 1 d . . .
H9 H 0.0846 0.7343 0.3970 0.042 Uiso 1 1 calc R . .
C10 C 0.2710(6) 0.8331(6) 0.5773(5) 0.021(2) Uani 1 1 d . . .
O4 O 0.2635(4) 0.7670(4) 0.6011(3) 0.0203(14) Uani 1 1 d . . .
O5 O 0.3230(4) 0.9012(4) 0.6019(3) 0.0231(15) Uani 1 1 d . . .
C11 C 0.0737(6) 0.6288(7) 0.5133(6) 0.032(2) Uani 1 1 d . . .
H11A H 0.0491 0.6615 0.5269 0.038 Uiso 1 1 calc R . .
H11B H 0.0399 0.5922 0.4762 0.038 Uiso 1 1 calc R . .
C12 C 0.0685(6) 0.5768(6) 0.5751(5) 0.022(2) Uani 1 1 d . . .
O6 O 0.1353(4) 0.5863(4) 0.6020(3) 0.0234(15) Uani 1 1 d . . .
O7 O 0.0002(5) 0.5299(5) 0.5992(4) 0.0343(18) Uani 1 1 d . . .
C13 C 0.1695(6) 0.6588(7) 0.4131(5) 0.023(2) Uani 1 1 d . . .
H13A H 0.2076 0.7068 0.3863 0.028 Uiso 1 1 calc R . .
H13B H 0.1175 0.6324 0.3883 0.028 Uiso 1 1 calc R . .
C14 C 0.2025(6) 0.5999(6) 0.4169(5) 0.023(2) Uani 1 1 d . . .
O8 O 0.2275(4) 0.5918(4) 0.4762(3) 0.0233(15) Uani 1 1 d . . .
O9 O 0.2045(5) 0.5662(5) 0.3624(4) 0.0310(17) Uani 1 1 d . . .
N31 N 0.169(2) 0.344(2) 0.2500 0.074(9) Uiso 0.67 2 d SP A 1
O31 O 0.086(2) 0.306(2) 0.2500 0.104(10) Uiso 0.67 2 d SP A 1
O32 O 0.2119(18) 0.4132(18) 0.2500 0.079(8) Uiso 0.67 2 d SP A 1
O33 O 0.1954(18) 0.2920(18) 0.2500 0.086(8) Uiso 0.67 2 d SP A 1
O34 O 0.3648(11) 0.4439(11) 0.2500 0.037(4) Uiso 0.67 2 d SP B 1
O35 O 0.013(9) 0.283(8) 0.2500 0.20(5) Uiso 0.33 2 d SP C 2
O36 O 0.271(4) 0.395(4) 0.2500 0.11(2) Uiso 0.33 2 d SP D 2
O41 O -0.046(7) 0.118(7) 0.306(6) 0.70(8) Uiso 1 1 d D . .
C41A C -0.084(19) 0.041(14) 0.348(16) 0.47(8) Uiso 0.33 1 d PD . .
C41B C -0.045(10) 0.194(9) 0.330(8) 0.47(8) Uiso 0.67 1 d PD . .
O42 O 0.106(10) 0.163(10) 0.2500 0.39(8) Uiso 0.50 2 d SP . .
O43 O -0.033(10) 0.019(12) 0.395(7) 0.29(7) Uiso 0.33 1 d P . .
C43 C -0.014(15) -0.040(7) 0.462(5) 0.20(7) Uiso 0.33 1 d P . .
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'
Cs Cs -0.3680 2.1192 '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
O9 Cs1 O9 88.5(3) 3_565 12_566
O9 Cs1 O9 138.03(10) 3_565 10_556
O9 Cs1 O9 76.7(2) 12_566 10_556
O9 Cs1 O9 76.7(2) 3_565 .
O9 Cs1 O9 138.03(10) 12_566 .
O9 Cs1 O9 88.5(3) 10_556 .
O9 Cs1 O9 76.7(2) 3_565 2_665
O9 Cs1 O9 138.03(10) 12_566 2_665
O9 Cs1 O9 138.03(10) 10_556 2_665
O9 Cs1 O9 76.7(2) . 2_665
O9 Cs1 O9 138.03(10) 3_565 11_666
O9 Cs1 O9 76.7(2) 12_566 11_666
O9 Cs1 O9 76.7(2) 10_556 11_666
O9 Cs1 O9 138.03(10) . 11_666
O9 Cs1 O9 88.5(3) 2_665 11_666
O9 Cs2A O9 89.5(4) . 10_556
O9 Cs2A O31 101.7(5) . .
O9 Cs2A O31 101.7(5) 10_556 .
O9 Cs2A O32 72.4(4) . .
O9 Cs2A O32 72.4(4) 10_556 .
O31 Cs2A O32 41.8(9) . .
O9 Cs2A O34 76.6(3) . 3_565
O9 Cs2A O34 76.6(3) 10_556 3_565
O31 Cs2A O34 177.5(9) . 3_565
O32 Cs2A O34 135.8(7) . 3_565
O9 Cs2A O7 146.0(3) . 4_564
O9 Cs2A O7 65.4(2) 10_556 4_564
O31 Cs2A O7 105.5(3) . 4_564
O32 Cs2A O7 117.01(17) . 4_564
O34 Cs2A O7 75.5(2) 3_565 4_564
O9 Cs2A O7 65.4(2) . 7_566
O9 Cs2A O7 146.0(3) 10_556 7_566
O31 Cs2A O7 105.5(3) . 7_566
O32 Cs2A O7 117.01(17) . 7_566
O34 Cs2A O7 75.5(2) 3_565 7_566
O7 Cs2A O7 124.3(3) 4_564 7_566
O9 Cs2A O2 123.35(19) . 7_566
O9 Cs2A O2 123.35(19) 10_556 7_566
O31 Cs2A O2 112.7(8) . 7_566
O32 Cs2A O2 154.5(6) . 7_566
O34 Cs2A O2 69.8(4) 3_565 7_566
O7 Cs2A O2 62.85(18) 4_564 7_566
O7 Cs2A O2 62.85(18) 7_566 7_566
O9 Cs2A N31 85.5(5) . .
O9 Cs2A N31 85.5(5) 10_556 .
O31 Cs2A N31 22.8(8) . .
O32 Cs2A N31 18.9(7) . .
O34 Cs2A N31 154.7(7) 3_565 .
O7 Cs2A N31 113.2(2) 4_564 .
O7 Cs2A N31 113.2(2) 7_566 .
O2 Cs2A N31 135.6(7) 7_566 .
O9 Cs2B O9 91.1(6) . 10_556
O9 Cs2B O7 154.3(5) . 4_564
O9 Cs2B O7 66.9(2) 10_556 4_564
O9 Cs2B O7 66.9(2) . 7_566
O9 Cs2B O7 154.3(5) 10_556 7_566
O7 Cs2B O7 129.9(6) 4_564 7_566
O9 Cs2B O2 129.4(3) . 7_566
O9 Cs2B O2 129.4(3) 10_556 7_566
O7 Cs2B O2 65.1(3) 4_564 7_566
O7 Cs2B O2 65.1(3) 7_566 7_566
O9 Cs2B O35 109.2(16) . .
O9 Cs2B O35 109.2(16) 10_556 .
O7 Cs2B O35 91.2(11) 4_564 .
O7 Cs2B O35 91.2(11) 7_566 .
O2 Cs2B O35 87(2) 7_566 .
O9 Cs2B C2 134.4(3) . 7_566
O9 Cs2B C2 134.4(3) 10_556 7_566
O7 Cs2B C2 68.2(3) 4_564 7_566
O7 Cs2B C2 68.2(3) 7_566 7_566
O2 Cs2B C2 22.9(3) 7_566 7_566
O35 Cs2B C2 64(2) . 7_566
O9 Cs2B C14 13.8(2) . .
O9 Cs2B C14 100.9(5) 10_556 .
O7 Cs2B C14 154.7(4) 4_564 .
O7 Cs2B C14 55.3(2) 7_566 .
O2 Cs2B C14 115.9(3) 7_566 .
O35 Cs2B C14 114.1(11) . .
C2 Cs2B C14 123.5(3) 7_566 .
O9 Cs2B C14 100.9(5) . 10_556
O9 Cs2B C14 13.8(2) 10_556 10_556
O7 Cs2B C14 55.3(2) 4_564 10_556
O7 Cs2B C14 154.7(4) 7_566 10_556
O2 Cs2B C14 115.9(3) 7_566 10_556
O35 Cs2B C14 114.1(11) . 10_556
C2 Cs2B C14 123.5(3) 7_566 10_556
C14 Cs2B C14 108.8(5) . 10_556
O4 Cu1 O8 175.2(3) . .
O4 Cu1 O1 91.2(3) . .
O8 Cu1 O1 89.0(3) . .
O4 Cu1 N1 93.7(3) . .
O8 Cu1 N1 85.6(3) . .
O1 Cu1 N1 172.1(4) . .
O4 Cu1 O6 94.3(3) . .
O8 Cu1 O6 90.4(3) . .
O1 Cu1 O6 101.7(3) . .
N1 Cu1 O6 84.1(3) . .
O4 Cu1 O8 86.8(3) . 3_565
O8 Cu1 O8 88.6(4) . 3_565
O1 Cu1 O8 75.9(3) . 3_565
N1 Cu1 O8 98.2(3) . 3_565
O6 Cu1 O8 177.5(2) . 3_565
O2 Cu2 O3 77.4(3) . .
O2 Cu2 O6 95.4(3) . .
O3 Cu2 O6 172.7(3) . .
O2 Cu2 O5 171.8(3) . 2_665
O3 Cu2 O5 94.7(3) . 2_665
O6 Cu2 O5 92.6(3) . 2_665
O2 Cu2 Cu2 38.7(2) . 10_557
O3 Cu2 Cu2 39.0(2) . 10_557
O6 Cu2 Cu2 133.7(2) . 10_557
O5 Cu2 Cu2 133.5(2) 2_665 10_557
C1 O1 Cu1 115.3(3) . .
C1 O1 Cu1 115.3(3) . 3_565
Cu1 O1 Cu1 103.1(3) . 3_565
C1 O1 Cu1 115.3(3) . 2_665
Cu1 O1 Cu1 103.1(3) . 2_665
Cu1 O1 Cu1 103.1(3) 3_565 2_665
C2 O2 Cu2 127.8(3) . .
C2 O2 Cu2 127.8(3) . 10_557
Cu2 O2 Cu2 102.5(4) . 10_557
C2 O2 Cs2B 91.6(8) . 7_566
Cu2 O2 Cs2B 96.4(4) . 7_566
Cu2 O2 Cs2B 96.4(4) 10_557 7_566
C2 O2 Cs2A 86.2(8) . 7_566
Cu2 O2 Cs2A 99.7(3) . 7_566
Cu2 O2 Cs2A 99.7(3) 10_557 7_566
Cs2B O2 Cs2A 5.4(3) 7_566 7_566
C3 O3 Cu2 125.5(4) . 10_557
C3 O3 Cu2 125.5(4) . .
Cu2 O3 Cu2 102.0(5) 10_557 .
C4 N1 C13 109.9(7) . .
C4 N1 C11 107.8(8) . .
C13 N1 C11 112.5(8) . .
C4 N1 Cu1 117.2(6) . .
C13 N1 Cu1 101.2(6) . .
C11 N1 Cu1 108.2(6) . .
C5 C4 C9 118.4(10) . .
C5 C4 N1 124.6(9) . .
C9 C4 N1 117.0(9) . .
C6 C5 C4 118.5(10) . .
C6 C5 C10 116.5(9) . .
C4 C5 C10 125.0(9) . .
C7 C6 C5 123.1(12) . .
C6 C7 C8 118.1(12) . .
C9 C8 C7 120.3(11) . .
C8 C9 C4 121.5(11) . .
O5 C10 O4 121.2(9) . .
O5 C10 C5 116.6(9) . .
O4 C10 C5 122.2(9) . .
C10 O4 Cu1 122.2(6) . .
C10 O5 Cu2 110.6(6) . 3_565
C12 C11 N1 118.1(9) . .
O7 C12 O6 123.3(9) . .
O7 C12 C11 117.7(9) . .
O6 C12 C11 118.9(9) . .
C12 O6 Cu2 110.9(6) . .
C12 O6 Cu1 110.7(6) . .
Cu2 O6 Cu1 137.1(4) . .
C12 O7 Cs2B 132.0(7) . 7_566
C12 O7 Cs2A 129.7(7) . 7_566
Cs2B O7 Cs2A 5.9(2) 7_566 7_566
N1 C13 C14 113.5(8) . .
O9 C14 O8 125.9(10) . .
O9 C14 C13 117.7(9) . .
O8 C14 C13 116.4(9) . .
O9 C14 Cs1 44.3(5) . .
O8 C14 Cs1 124.6(6) . .
C13 C14 Cs1 98.7(6) . .
O9 C14 Cs2B 35.7(5) . .
O8 C14 Cs2B 144.7(7) . .
C13 C14 Cs2B 91.1(6) . .
Cs1 C14 Cs2B 67.4(3) . .
C14 O8 Cu1 113.0(6) . .
C14 O8 Cu1 147.3(6) . 2_665
Cu1 O8 Cu1 90.7(3) . 2_665
C14 O9 Cs2B 130.6(7) . .
C14 O9 Cs2A 134.4(7) . .
Cs2B O9 Cs2A 6.4(3) . .
C14 O9 Cs1 119.4(7) . .
Cs2B O9 Cs1 89.9(3) . .
Cs2A O9 Cs1 91.0(2) . .
O32 N31 O33 122(4) . .
O32 N31 O31 126(4) . .
O33 N31 O31 112(3) . .
O32 N31 Cs2A 64(2) . .
O33 N31 Cs2A 174(3) . .
O31 N31 Cs2A 63(2) . .
N31 O31 Cs2A 95(2) . .
N31 O32 Cs2A 98(2) . .
C41A O41 C41B 122(10) . .
O41 C41A O43 121(10) . .
C43 O43 O43 82(10) 3 2
C43 O43 O43 83(10) 3 3
O43 O43 O43 60.00(3) 2 3
C43 O43 C41A 135(10) 3 .
O43 O43 C41A 132(10) 2 .
O43 O43 C41A 136(10) 3 .
C43 O43 C43 39(9) 3 2
O43 O43 C43 67(10) 2 2
O43 O43 C43 44(5) 3 2
C41A O43 C43 161(10) . 2
C43 O43 C43 38(9) 3 .
O43 O43 C43 44(5) 2 .
O43 O43 C43 66(10) 3 .
C41A O43 C43 156(10) . .
C43 O43 C43 37(6) 2 .
C43 C43 C43 60.00(5) 3 2
C43 C43 O43 97(10) 3 2
C43 C43 O43 98(10) 2 2
C43 C43 C43 90.00(2) 3 9_556
C43 C43 C43 69(4) 2 9_556
O43 C43 C43 159(10) 2 9_556
C43 C43 C43 69(4) 3 8_556
C43 C43 C43 90.00(5) 2 8_556
O43 C43 C43 158(10) 2 8_556
C43 C43 C43 42(9) 9_556 8_556
C43 C43 O43 72(10) 3 3
C43 C43 O43 44(7) 2 3
O43 C43 O43 53(9) 2 3
C43 C43 O43 111(6) 9_556 3
C43 C43 O43 131(10) 8_556 3
C43 C43 O43 44(6) 3 .
C43 C43 O43 71(10) 2 .
O43 C43 O43 53(9) 2 .
C43 C43 O43 130(10) 9_556 .
C43 C43 O43 111(6) 8_556 .
O43 C43 O43 47(6) 3 .
C43 C43 C43 54(5) 3 7_556
C43 C43 C43 54(5) 2 7_556
O43 C43 C43 146(10) 2 7_556
C43 C43 C43 36(5) 9_556 7_556
C43 C43 C43 36(5) 8_556 7_556
O43 C43 C43 97(10) 3 7_556
O43 C43 C43 96(10) . 7_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cs1 O9 3.076(8) 3_565
Cs1 O9 3.076(8) 12_566
Cs1 O9 3.076(8) 10_556
Cs1 O9 3.076(8) .
Cs1 O9 3.076(8) 2_665
Cs1 O9 3.076(8) 11_666
Cs2A O9 3.050(9) .
Cs2A O9 3.050(9) 10_556
Cs2A O31 3.08(4) .
Cs2A O32 3.12(3) .
Cs2A O34 3.176(18) 3_565
Cs2A O7 3.254(8) 4_564
Cs2A O7 3.254(8) 7_566
Cs2A O2 3.419(13) 7_566
Cs2A N31 3.46(3) .
Cs2B O9 3.007(14) .
Cs2B O9 3.007(14) 10_556
Cs2B O7 3.176(10) 4_564
Cs2B O7 3.176(10) 7_566
Cs2B O2 3.29(2) 7_566
Cs2B O35 3.33(13) .
Cs2B C2 3.62(2) 7_566
Cs2B C14 3.918(14) .
Cs2B C14 3.918(14) 10_556
Cu1 O4 1.920(7) .
Cu1 O8 1.925(7) .
Cu1 O1 1.994(5) .
Cu1 N1 2.036(8) .
Cu1 O6 2.199(7) .
Cu1 O8 2.434(7) 3_565
Cu2 O2 1.906(6) .
Cu2 O3 1.913(7) .
Cu2 O6 1.940(7) .
Cu2 O5 1.948(7) 2_665
Cu2 Cu2 2.973(2) 10_557
O1 C1 1.444(19) .
O1 Cu1 1.994(5) 3_565
O1 Cu1 1.994(5) 2_665
O2 C2 1.408(17) .
O2 Cu2 1.906(6) 10_557
O2 Cs2B 3.29(2) 7_566
O2 Cs2A 3.419(13) 7_566
O3 C3 1.44(2) .
O3 Cu2 1.913(7) 10_557
N1 C4 1.460(13) .
N1 C13 1.491(12) .
N1 C11 1.504(13) .
C4 C5 1.393(14) .
C4 C9 1.408(14) .
C5 C6 1.373(15) .
C5 C10 1.507(13) .
C6 C7 1.366(17) .
C7 C8 1.393(19) .
C8 C9 1.349(17) .
C10 O5 1.249(12) .
C10 O4 1.262(12) .
O5 Cu2 1.948(7) 3_565
C11 C12 1.503(13) .
C12 O7 1.227(12) .
C12 O6 1.284(12) .
O7 Cs2B 3.176(10) 7_566
O7 Cs2A 3.254(8) 7_566
C13 C14 1.517(14) .
C14 O9 1.229(12) .
C14 O8 1.263(12) .
O8 Cu1 2.434(7) 2_665
N31 O32 1.13(4) .
N31 O33 1.31(4) .
N31 O31 1.35(4) .
O34 Cs2A 3.176(18) 2_665
O41 C41A 1.48(3) .
O41 C41B 1.50(3) .
C41A O43 1.5(3) .
O43 C43 1.29(12) 3
O43 O43 1.48(18) 2
O43 O43 1.48(18) 3
O43 C43 1.83(18) 2
O43 C43 1.84(18) .
C43 C43 1.16(19) 3
C43 C43 1.16(19) 2
C43 O43 1.29(12) 2
C43 C43 1.61(18) 9_556
C43 C43 1.61(18) 8_556
C43 O43 1.83(18) 3
C43 C43 1.98(18) 7_556
