#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:27:18 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179664 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/17/4511735.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_4511735
loop_
_publ_author_name
'Kundu, Tanaya'
'Jana, Ajay Kumar'
'Natarajan, Srinivasan'
_publ_section_title
;
 Stepwise Crystallization: Illustrative Examples of the Use of
 Metalloligands [Cu6(mna)6]6--and [Ag6(Hmna)2(mna)4]4--(H2mna= 2-Mercapto
 Nicotinic Acid) in the Formation of Heterometallic Two- and
 Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4531
_journal_paper_doi               10.1021/cg500632d
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C18 H24 Cu3 Mn2 N3 O16 S3'
_chemical_formula_sum            'C18 H24 Cu3 Mn2 N3 O16 S3'
_chemical_formula_weight         935.08
_chemical_name_common            'Cu,Mn-2mercaptonicotinic acid red'
_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                97.148(4)
_cell_angle_beta                 108.384(5)
_cell_angle_gamma                119.315(5)
_cell_formula_units_Z            2
_cell_length_a                   12.3484(6)
_cell_length_b                   12.4660(5)
_cell_length_c                   14.0980(8)
_cell_measurement_reflns_used    6657
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.66
_cell_volume                     1690.7(2)
_computing_cell_refinement       'CrysAlisPro CCD (Oxford Diffraction, 2009)'
_computing_data_collection       'CrysAlisPro CCD (Oxford Diffraction, 2009)'
_computing_data_reduction        'CrysAlisPro RED (Oxford Diffraction, 2009)'
_computing_molecular_graphics
'Ortep-3 (Farrugia, 1997) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Oxford Xcalibur,Eos(Nova) CCD detector'
_diffrn_measurement_method       'fω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28992
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    2.836
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_correction_T_min  0.660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlis RED (Oxford Diffraction,2009)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.354
_refine_diff_density_min         -0.802
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6657
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0338
_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)+(0.0316P)²+3.9161P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0829
_reflns_number_gt                5914
_reflns_number_total             6657
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg500632d_si_002.cif
_cod_data_source_block           Compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 

 Adding full bibliography for 4511733--4511736.cif.
;
_cod_original_cell_volume        1690.65(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4511735
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
Cu1 Cu 1.09316(4) 0.42791(4) 0.58510(3) 0.01597(10) Uani 1 1 d .
Cu2 Cu 0.83913(4) 0.31478(4) 0.41109(3) 0.01748(10) Uani 1 1 d .
Cu3 Cu 1.10148(4) 0.50696(4) 0.40835(3) 0.01688(10) Uani 1 1 d .
Mn1 Mn 1.11058(5) 0.01112(5) 0.10698(4) 0.01201(11) Uani 1 1 d .
Mn2 Mn 1.25358(5) 0.31832(5) 0.05971(4) 0.01950(12) Uani 1 1 d .
S1 S 0.96085(8) 0.28992(8) 0.33229(6) 0.01571(17) Uani 1 1 d .
S2 S 0.94951(8) 0.36372(8) 0.66347(6) 0.01522(17) Uani 1 1 d .
S3 S 1.29938(8) 0.62158(8) 0.65959(6) 0.01462(16) Uani 1 1 d .
O1 O 1.0758(2) 0.1269(2) 0.20693(18) 0.0170(5) Uani 1 1 d .
O2 O 0.8625(3) -0.0158(3) 0.18659(19) 0.0289(6) Uani 1 1 d .
O3 O 0.8970(2) 0.1041(2) 0.78120(18) 0.0176(5) Uani 1 1 d .
O4 O 0.7801(3) 0.1895(3) 0.7999(2) 0.0307(6) Uani 1 1 d .
O5 O 1.6198(3) 0.6562(2) 0.7842(2) 0.0306(6) Uani 1 1 d .
O6 O 1.6683(2) 0.8535(2) 0.78334(18) 0.0210(5) Uani 1 1 d .
O7 O 1.1547(3) -0.1174(3) 0.0281(2) 0.0221(6) Uani 1 1 d .
O8 O 1.1131(2) 0.1126(2) -0.00541(18) 0.0144(5) Uani 1 1 d .
O9 O 1.1160(3) 0.3317(3) 0.1260(2) 0.0274(6) Uani 1 1 d D
O10 O 1.3908(4) 0.5313(3) 0.1103(3) 0.0509(9) Uani 1 1 d D
O11 O 1.1519(3) 0.3369(3) -0.0882(3) 0.0376(8) Uani 1 1 d .
O12 O 1.4007(3) 0.3021(3) 0.0057(2) 0.0409(7) Uani 1 1 d D
O13 O 1.4452(4) 0.1135(5) 0.0722(3) 0.0684(11) Uani 1 1 d D
O14 O 0.6449(3) -0.2056(3) 0.2039(2) 0.0358(7) Uani 1 1 d .
O15 O 0.7551(6) 0.3414(6) 0.0635(4) 0.112(2) Uani 1 1 d .
O16 O 1.0282(5) 0.4943(4) 0.1028(3) 0.0639(11) Uani 1 1 d D
N1 N 1.0967(3) 0.2769(3) 0.5169(2) 0.0156(6) Uani 1 1 d .
N2 N 0.7562(3) 0.1752(3) 0.4761(2) 0.0181(6) Uani 1 1 d .
N3 N 1.3048(3) 0.5760(3) 0.4707(2) 0.0171(6) Uani 1 1 d .
C1 C 1.0387(3) 0.2244(3) 0.4102(2) 0.0132(6) Uani 1 1 d .
C2 C 1.0406(3) 0.1215(3) 0.3609(2) 0.0136(6) Uani 1 1 d .
C3 C 1.1017(3) 0.0714(3) 0.4232(3) 0.0183(7) Uani 1 1 d .
H3 H 1.1027 0.0019 0.3920 0.022 Uiso 1 1 calc R
C4 C 1.1616(3) 0.1262(3) 0.5332(3) 0.0183(7) Uani 1 1 d .
H4 H 1.2040 0.0946 0.5767 0.022 Uiso 1 1 calc R
C5 C 1.1567(3) 0.2284(3) 0.5764(3) 0.0177(7) Uani 1 1 d .
H5 H 1.1969 0.2651 0.6499 0.021 Uiso 1 1 calc R
C6 C 0.9865(3) 0.0728(3) 0.2422(3) 0.0152(7) Uani 1 1 d .
C7 C 0.6501(4) 0.0536(3) 0.4125(3) 0.0216(7) Uani 1 1 d .
H7 H 0.6155 0.0354 0.3394 0.026 Uiso 1 1 calc R
C8 C 0.5904(4) -0.0455(3) 0.4510(3) 0.0234(8) Uani 1 1 d .
H8 H 0.5163 -0.1289 0.4051 0.028 Uiso 1 1 calc R
C9 C 0.6430(4) -0.0180(3) 0.5598(3) 0.0213(7) Uani 1 1 d .
H9 H 0.6047 -0.0834 0.5878 0.026 Uiso 1 1 calc R
C10 C 0.7524(3) 0.1065(3) 0.6266(3) 0.0159(7) Uani 1 1 d .
C11 C 0.8077(3) 0.2031(3) 0.5815(3) 0.0151(6) Uani 1 1 d .
C12 C 0.8138(3) 0.1367(3) 0.7453(3) 0.0166(7) Uani 1 1 d .
C13 C 1.3820(3) 0.6245(3) 0.5765(2) 0.0143(6) Uani 1 1 d .
C14 C 1.5228(3) 0.6758(3) 0.6207(3) 0.0158(7) Uani 1 1 d .
C15 C 1.5828(4) 0.6742(3) 0.5531(3) 0.0219(7) Uani 1 1 d .
H15 H 1.6763 0.7072 0.5808 0.026 Uiso 1 1 calc R
C16 C 1.5037(4) 0.6234(3) 0.4440(3) 0.0236(8) Uani 1 1 d .
H16 H 1.5427 0.6214 0.3976 0.028 Uiso 1 1 calc R
C17 C 1.3661(4) 0.5760(3) 0.4066(3) 0.0207(7) Uani 1 1 d .
H17 H 1.3126 0.5422 0.3336 0.025 Uiso 1 1 calc R
C18 C 1.6106(3) 0.7334(3) 0.7397(3) 0.0190(7) Uani 1 1 d .
H8A H 1.133(4) 0.098(4) -0.044(3) 0.025(12) Uiso 1 1 d .
H11B H 1.195(5) 0.383(5) -0.108(4) 0.038(15) Uiso 1 1 d .
H11A H 1.078(6) 0.264(5) -0.130(4) 0.052(16) Uiso 1 1 d .
H7A H 1.173(6) -0.156(6) 0.081(5) 0.073(18) Uiso 1 1 d .
H7B H 1.092(7) -0.164(6) -0.008(5) 0.07(2) Uiso 1 1 d .
H9A H 1.116(6) 0.293(5) 0.179(3) 0.077(19) Uiso 1 1 d D
H9B H 1.106(8) 0.402(5) 0.140(5) 0.13(3) Uiso 1 1 d D
H10A H 1.348(6) 0.575(6) 0.117(6) 0.15(4) Uiso 1 1 d D
H10B H 1.485(3) 0.585(6) 0.161(5) 0.14(3) Uiso 1 1 d D
H12A H 1.373(8) 0.287(8) -0.0680(14) 0.171 Uiso 1 1 d D
H12B H 1.483(6) 0.386(4) 0.046(5) 0.171 Uiso 1 1 d D
H13A H 1.419(8) 0.123(9) 0.128(4) 0.171 Uiso 1 1 d D
H13B H 1.542(3) 0.147(9) 0.104(6) 0.171 Uiso 1 1 d D
H16A H 1.099(6) 0.573(5) 0.161(5) 0.171 Uiso 1 1 d D
H16B H 0.947(5) 0.495(8) 0.076(7) 0.171 Uiso 1 1 d D
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
O O 0.0106 0.0060 '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'
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'
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
N1 Cu1 S2 111.02(8) . .
N1 Cu1 S3 113.91(8) . .
S2 Cu1 S3 122.42(3) . .
N1 Cu1 Cu2 86.42(8) . .
S2 Cu1 Cu2 79.02(3) . .
S3 Cu1 Cu2 136.60(3) . .
N1 Cu1 Cu3 87.80(8) . .
S2 Cu1 Cu3 137.29(3) . .
S3 Cu1 Cu3 78.49(2) . .
Cu2 Cu1 Cu3 63.757(15) . .
N1 Cu1 Cu2 143.50(8) . 2_766
S2 Cu1 Cu2 104.04(3) . 2_766
S3 Cu1 Cu2 49.82(2) . 2_766
Cu2 Cu1 Cu2 90.614(18) . 2_766
Cu3 Cu1 Cu2 58.735(14) . 2_766
N1 Cu1 Cu3 140.54(8) . 2_766
S2 Cu1 Cu3 49.42(2) . 2_766
S3 Cu1 Cu3 104.53(3) . 2_766
Cu2 Cu1 Cu3 58.481(14) . 2_766
Cu3 Cu1 Cu3 91.470(16) . 2_766
Cu2 Cu1 Cu3 61.381(15) 2_766 2_766
N2 Cu2 S3 112.37(8) . 2_766
N2 Cu2 S1 114.47(8) . .
S3 Cu2 S1 121.41(3) 2_766 .
N2 Cu2 Cu3 86.34(8) . 2_766
S3 Cu2 Cu3 79.12(2) 2_766 2_766
S1 Cu2 Cu3 135.89(3) . 2_766
N2 Cu2 Cu1 87.81(8) . .
S3 Cu2 Cu1 135.93(3) 2_766 .
S1 Cu2 Cu1 78.78(3) . .
Cu3 Cu2 Cu1 62.885(16) 2_766 .
N2 Cu2 Cu1 142.27(8) . 2_766
S3 Cu2 Cu1 50.37(2) 2_766 2_766
S1 Cu2 Cu1 101.79(3) . 2_766
Cu3 Cu2 Cu1 59.278(14) 2_766 2_766
Cu1 Cu2 Cu1 89.386(18) . 2_766
N2 Cu2 Cu3 142.61(8) . .
S3 Cu2 Cu3 103.62(3) 2_766 .
S1 Cu2 Cu3 48.55(2) . .
Cu3 Cu2 Cu3 90.856(18) 2_766 .
Cu1 Cu2 Cu3 58.308(15) . .
Cu1 Cu2 Cu3 59.836(14) 2_766 .
N3 Cu3 S1 113.84(8) . .
N3 Cu3 S2 114.58(8) . 2_766
S1 Cu3 S2 120.50(3) . 2_766
N3 Cu3 Cu2 87.80(8) . 2_766
S1 Cu3 Cu2 134.43(3) . 2_766
S2 Cu3 Cu2 79.31(2) 2_766 2_766
N3 Cu3 Cu1 87.63(8) . .
S1 Cu3 Cu1 78.62(3) . .
S2 Cu3 Cu1 134.87(3) 2_766 .
Cu2 Cu3 Cu1 61.986(15) 2_766 .
N3 Cu3 Cu1 143.40(8) . 2_766
S1 Cu3 Cu1 100.98(3) . 2_766
S2 Cu3 Cu1 49.79(2) 2_766 2_766
Cu2 Cu3 Cu1 58.634(15) 2_766 2_766
Cu1 Cu3 Cu1 88.530(16) . 2_766
N3 Cu3 Cu2 141.96(8) . .
S1 Cu3 Cu2 48.71(2) . .
S2 Cu3 Cu2 102.02(3) 2_766 .
Cu2 Cu3 Cu2 89.144(18) 2_766 .
Cu1 Cu3 Cu2 57.934(15) . .
Cu1 Cu3 Cu2 58.783(14) 2_766 .
O8 Mn1 O1 94.20(9) . .
O8 Mn1 O8 83.66(9) . 2_755
O1 Mn1 O8 88.44(9) . 2_755
O8 Mn1 O6 96.17(9) . 2_866
O1 Mn1 O6 86.54(9) . 2_866
O8 Mn1 O6 174.95(9) 2_755 2_866
O8 Mn1 O7 95.06(10) . .
O1 Mn1 O7 170.45(10) . .
O8 Mn1 O7 94.92(10) 2_755 .
O6 Mn1 O7 90.12(10) 2_866 .
O8 Mn1 O3 177.36(9) . 2_756
O1 Mn1 O3 87.92(8) . 2_756
O8 Mn1 O3 94.83(8) 2_755 2_756
O6 Mn1 O3 85.52(9) 2_866 2_756
O7 Mn1 O3 82.89(9) . 2_756
O8 Mn1 Mn1 42.48(6) . 2_755
O1 Mn1 Mn1 91.72(6) . 2_755
O8 Mn1 Mn1 41.19(6) 2_755 2_755
O6 Mn1 Mn1 138.42(7) 2_866 2_755
O7 Mn1 Mn1 96.70(8) . 2_755
O3 Mn1 Mn1 135.98(6) 2_756 2_755
O8 Mn2 O5 101.73(9) . 2_866
O8 Mn2 O11 90.31(11) . .
O5 Mn2 O11 167.96(12) 2_866 .
O8 Mn2 O10 174.06(12) . .
O5 Mn2 O10 84.07(12) 2_866 .
O11 Mn2 O10 83.90(14) . .
O8 Mn2 O9 89.93(9) . .
O5 Mn2 O9 87.32(11) 2_866 .
O11 Mn2 O9 92.49(12) . .
O10 Mn2 O9 91.60(12) . .
O8 Mn2 O12 89.78(11) . .
O5 Mn2 O12 87.93(11) 2_866 .
O11 Mn2 O12 92.43(13) . .
O10 Mn2 O12 89.19(13) . .
O9 Mn2 O12 175.07(11) . .
C1 S1 Cu3 106.63(11) . .
C1 S1 Cu2 104.20(10) . .
Cu3 S1 Cu2 82.74(3) . .
C11 S2 Cu3 104.62(11) . 2_766
C11 S2 Cu1 106.48(11) . .
Cu3 S2 Cu1 80.78(3) 2_766 .
C13 S3 Cu2 106.20(11) . 2_766
C13 S3 Cu1 106.80(11) . .
Cu2 S3 Cu1 79.81(3) 2_766 .
C6 O1 Mn1 121.0(2) . .
C12 O3 Mn1 125.6(2) . 2_756
C18 O5 Mn2 133.4(2) . 2_866
C18 O6 Mn1 123.7(2) . 2_866
Mn2 O8 Mn1 115.41(11) . .
Mn2 O8 Mn1 131.18(11) . 2_755
Mn1 O8 Mn1 96.34(9) . 2_755
C5 N1 C1 118.9(3) . .
C5 N1 Cu1 121.0(2) . .
C1 N1 Cu1 120.1(2) . .
C11 N2 C7 119.6(3) . .
C11 N2 Cu2 120.8(2) . .
C7 N2 Cu2 119.6(2) . .
C13 N3 C17 118.5(3) . .
C13 N3 Cu3 121.0(2) . .
C17 N3 Cu3 120.5(2) . .
N1 C1 C2 121.5(3) . .
N1 C1 S1 118.6(2) . .
C2 C1 S1 119.9(2) . .
C3 C2 C1 119.0(3) . .
C3 C2 C6 120.5(3) . .
C1 C2 C6 120.4(3) . .
C2 C3 C4 119.2(3) . .
C5 C4 C3 118.6(3) . .
N1 C5 C4 122.8(3) . .
O2 C6 O1 125.1(3) . .
O2 C6 C2 119.6(3) . .
O1 C6 C2 115.2(3) . .
N2 C7 C8 122.6(3) . .
C7 C8 C9 118.4(3) . .
C10 C9 C8 119.9(3) . .
C9 C10 C11 118.5(3) . .
C9 C10 C12 120.4(3) . .
C11 C10 C12 121.1(3) . .
N2 C11 C10 121.0(3) . .
N2 C11 S2 118.6(2) . .
C10 C11 S2 120.4(2) . .
O4 C12 O3 125.1(3) . .
O4 C12 C10 119.1(3) . .
O3 C12 C10 115.8(3) . .
N3 C13 C14 121.7(3) . .
N3 C13 S3 117.9(2) . .
C14 C13 S3 120.3(2) . .
C15 C14 C13 118.5(3) . .
C15 C14 C18 119.7(3) . .
C13 C14 C18 121.8(3) . .
C14 C15 C16 120.1(3) . .
C17 C16 C15 117.9(3) . .
N3 C17 C16 123.2(3) . .
O5 C18 O6 126.5(3) . .
O5 C18 C14 116.0(3) . .
O6 C18 C14 117.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 2.031(3) .
Cu1 S2 2.2525(9) .
Cu1 S3 2.2535(9) .
Cu1 Cu2 2.7929(6) .
Cu1 Cu3 2.8042(6) .
Cu1 Cu2 2.8798(6) 2_766
Cu1 Cu3 2.9114(6) 2_766
Cu2 N2 2.040(3) .
Cu2 S3 2.2357(9) 2_766
Cu2 S1 2.2389(9) .
Cu2 Cu3 2.7883(6) 2_766
Cu2 Cu1 2.8798(6) 2_766
Cu2 Cu3 2.9560(6) .
Cu3 N3 2.030(3) .
Cu3 S1 2.2334(9) .
Cu3 S2 2.2403(9) 2_766
Cu3 Cu2 2.7883(6) 2_766
Cu3 Cu1 2.9114(6) 2_766
Mn1 O8 2.146(2) .
Mn1 O1 2.176(2) .
Mn1 O8 2.201(2) 2_755
Mn1 O6 2.207(2) 2_866
Mn1 O7 2.212(3) .
Mn1 O3 2.254(2) 2_756
Mn1 Mn1 3.2386(10) 2_755
Mn2 O8 2.117(2) .
Mn2 O5 2.135(3) 2_866
Mn2 O11 2.175(3) .
Mn2 O10 2.189(3) .
Mn2 O9 2.242(3) .
Mn2 O12 2.262(3) .
S1 C1 1.768(3) .
S2 C11 1.768(3) .
S2 Cu3 2.2403(9) 2_766
S3 C13 1.772(3) .
S3 Cu2 2.2357(9) 2_766
O1 C6 1.272(4) .
O2 C6 1.246(4) .
O3 C12 1.268(4) .
O3 Mn1 2.254(2) 2_756
O4 C12 1.243(4) .
O5 C18 1.243(4) .
O5 Mn2 2.135(3) 2_866
O6 C18 1.256(4) .
O6 Mn1 2.207(2) 2_866
O8 Mn1 2.201(2) 2_755
N1 C5 1.339(4) .
N1 C1 1.350(4) .
N2 C11 1.338(4) .
N2 C7 1.339(4) .
N3 C13 1.346(4) .
N3 C17 1.350(4) .
C1 C2 1.394(4) .
C2 C3 1.383(5) .
C2 C6 1.504(4) .
C3 C4 1.391(5) .
C4 C5 1.378(5) .
C7 C8 1.375(5) .
C8 C9 1.383(5) .
C9 C10 1.379(5) .
C10 C11 1.407(5) .
C10 C12 1.511(5) .
C13 C14 1.396(5) .
C14 C15 1.382(5) .
C14 C18 1.515(5) .
C15 C16 1.388(5) .
C16 C17 1.375(5) .
