#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:36:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180345 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/14/7201472.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_7201472
loop_
_publ_author_name
'Gu, Zhi-Guo'
'Sevov, Slavi C.'
_publ_section_title
;
 Syntheses, structures, and magnetic properties of heterometallic
 coordination polymers with carboxyphosphonate linkers
;
_journal_issue                   44
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              8442
_journal_paper_doi               10.1039/b915459k
_journal_volume                  19
_journal_year                    2009
_chemical_formula_sum            'C10 H32 Cu2 Mn2 N2 O24 P2'
_chemical_formula_weight         863.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 95.402(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1336(5)
_cell_length_b                   16.7572(8)
_cell_length_c                   16.2070(8)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.35
_cell_volume                     2739.9(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 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      100(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_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  0.0274
_diffrn_reflns_av_sigmaI/netI    0.0168
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            49131
_diffrn_reflns_theta_full        28.41
_diffrn_reflns_theta_max         28.41
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    2.653
_exptl_absorpt_correction_T_max  0.6917
_exptl_absorpt_correction_T_min  0.6762
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.093
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.551
_refine_diff_density_min         -1.998
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6807
_refine_ls_number_restraints     142
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0360
_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)+(0.0397P)²+12.4545P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                6300
_reflns_number_total             6807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b915459k.txt
_cod_data_source_block           1-CuMn
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/n
_cod_database_code               7201472
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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
Mn1 Mn 1.14457(4) 0.32809(3) 0.08722(3) 0.00944(10) Uani 1 1 d U . .
Mn2 Mn 0.93417(4) 0.31244(3) 0.38256(3) 0.00894(10) Uani 1 1 d U . .
Cu1 Cu 1.03882(3) 0.10726(2) 0.05715(2) 0.00757(9) Uani 1 1 d . . .
Cu2 Cu 0.66335(4) 0.20985(2) 0.24057(2) 0.00930(9) Uani 1 1 d . . .
P1 P 0.95634(7) 0.21037(4) 0.19949(5) 0.00800(14) Uani 1 1 d . . .
P2 P 0.62336(7) 0.28295(4) 0.41190(5) 0.00853(14) Uani 1 1 d . . .
C1 C 1.0857(3) -0.01215(18) 0.17424(19) 0.0101(5) Uani 1 1 d . . .
H1A H 1.0597 -0.0578 0.1375 0.012 Uiso 1 1 calc R . .
H1B H 1.0901 -0.0308 0.2324 0.012 Uiso 1 1 calc R . .
C2 C 0.8492(3) 0.02386(18) 0.14528(18) 0.0099(5) Uani 1 1 d . . .
H2A H 0.7989 0.0396 0.1922 0.012 Uiso 1 1 calc R . .
H2B H 0.8493 -0.0351 0.1423 0.012 Uiso 1 1 calc R . .
C3 C 1.0040(3) 0.11021(17) 0.23115(17) 0.0093(5) Uani 1 1 d . . .
H3A H 1.0978 0.1103 0.2546 0.011 Uiso 1 1 calc R . .
H3B H 0.9491 0.0925 0.2751 0.011 Uiso 1 1 calc R . .
C4 C 1.2203(3) 0.01989(18) 0.15519(18) 0.0101(5) Uani 1 1 d . . .
C5 C 0.7809(3) 0.05718(18) 0.06556(19) 0.0121(6) Uani 1 1 d . . .
C6 C 0.4897(3) 0.1163(2) 0.3295(2) 0.0167(6) Uani 1 1 d . . .
H6A H 0.4315 0.0790 0.2956 0.020 Uiso 1 1 calc R . .
H6B H 0.4544 0.1219 0.3841 0.020 Uiso 1 1 calc R . .
C7 C 0.3893(3) 0.2029(2) 0.21514(19) 0.0157(6) Uani 1 1 d . . .
H7A H 0.3026 0.2189 0.2334 0.019 Uiso 1 1 calc R . .
H7B H 0.3781 0.1509 0.1864 0.019 Uiso 1 1 calc R . .
H8A H 0.4393 0.3093 0.3153 0.019 Uiso 1 1 d R . .
H8B H 0.3991 0.2461 0.3822 0.019 Uiso 1 1 d R . .
C8 C 0.4722(3) 0.26219(19) 0.34629(19) 0.0121(6) Uani 1 1 d . . .
C9 C 0.6290(4) 0.0823(2) 0.3414(2) 0.0188(7) Uani 1 1 d . . .
C10 C 0.4358(3) 0.2653(2) 0.15619(19) 0.0138(6) Uani 1 1 d . . .
N1 N 0.9876(2) 0.05286(15) 0.16074(15) 0.0079(4) Uani 1 1 d . . .
N2 N 0.4882(3) 0.19530(16) 0.28802(16) 0.0117(5) Uani 1 1 d . . .
O1 O 1.2194(2) 0.07331(13) 0.09974(13) 0.0117(4) Uani 1 1 d U . .
O2 O 1.3224(2) -0.00733(14) 0.19374(14) 0.0150(4) Uani 1 1 d U . .
O3 O 0.8519(2) 0.09250(14) 0.01555(14) 0.0141(4) Uani 1 1 d U . .
O4 O 0.6596(2) 0.04653(15) 0.05150(15) 0.0187(5) Uani 1 1 d U . .
O5 O 0.8078(2) 0.21116(13) 0.17250(13) 0.0109(4) Uani 1 1 d U . .
O6 O 0.9949(2) 0.26344(13) 0.27315(13) 0.0118(4) Uani 1 1 d U . .
O7 O 1.0355(2) 0.22604(13) 0.12564(13) 0.0103(4) Uani 1 1 d U . .
O8 O 0.7195(3) 0.11628(15) 0.30512(16) 0.0206(5) Uani 1 1 d U . .
O9 O 0.6491(3) 0.02131(17) 0.38464(18) 0.0280(6) Uani 1 1 d U . .
O10 O 0.5599(2) 0.28034(14) 0.16258(14) 0.0143(4) Uani 1 1 d U . .
O11 O 0.3558(2) 0.29587(15) 0.10311(15) 0.0184(5) Uani 1 1 d U . .
O12 O 0.7287(2) 0.29336(13) 0.35085(13) 0.0115(4) Uani 1 1 d U . .
O13 O 0.6508(2) 0.21254(13) 0.46843(14) 0.0138(4) Uani 1 1 d U . .
O14 O 0.5974(2) 0.36102(13) 0.45452(13) 0.0125(4) Uani 1 1 d U . .
O15 O 0.9589(3) 0.38964(16) 0.05189(17) 0.0245(5) Uani 1 1 d U . .
H15A H 0.9448 0.4248 0.0876 0.029 Uiso 1 1 d R . .
H15B H 0.8915 0.3876 0.0169 0.029 Uiso 1 1 d R . .
O16 O 1.2141(3) 0.45072(18) 0.05670(19) 0.0316(6) Uani 1 1 d U . .
H16A H 1.2821 0.4759 0.0768 0.038 Uiso 1 1 d R . .
H16B H 1.2164 0.4483 0.0046 0.038 Uiso 1 1 d R . .
O17 O 1.1767(2) 0.35857(15) 0.21532(15) 0.0184(4) Uani 1 1 d U . .
H17A H 1.2432 0.3835 0.2380 0.022 Uiso 1 1 d R . .
H17B H 1.1403 0.3348 0.2532 0.022 Uiso 1 1 d R . .
O18 O 1.1509(2) 0.32200(16) 0.41373(15) 0.0198(5) Uani 1 1 d U . .
H18A H 1.2123 0.2936 0.4376 0.024 Uiso 1 1 d R . .
H18B H 1.1683 0.3704 0.4257 0.024 Uiso 1 1 d R . .
O19 O 0.9500(3) 0.19189(17) 0.44664(18) 0.0282(5) Uani 1 1 d U . .
H19A H 0.8735 0.1880 0.4625 0.034 Uiso 1 1 d R . .
H19B H 1.0029 0.2031 0.4887 0.034 Uiso 1 1 d R . .
O20 O 0.9267(2) 0.36277(14) 0.50972(14) 0.0149(4) Uani 1 1 d U . .
H20A H 0.8641 0.3786 0.5364 0.018 Uiso 1 1 d R . .
H20B H 0.9941 0.3566 0.5442 0.018 Uiso 1 1 d R . .
O21 O 0.9374(2) 0.43742(14) 0.34375(14) 0.0149(4) Uani 1 1 d U . .
H21A H 0.8819 0.4740 0.3302 0.018 Uiso 1 1 d R . .
H21B H 1.0138 0.4577 0.3448 0.018 Uiso 1 1 d R . .
O22 O 0.7427(3) 0.29279(19) 0.02588(19) 0.0319(7) Uani 1 1 d . . .
H22A H 0.7377 0.2739 0.0740 0.038 Uiso 1 1 d R . .
H22B H 0.6789 0.2738 -0.0057 0.038 Uiso 1 1 d R . .
O23 O 0.0445(4) 0.0302(3) 0.4289(3) 0.0579(11) Uani 1 1 d . . .
H23A H 0.1279 0.0280 0.4371 0.069 Uiso 1 1 d R . .
H23B H 0.0245 0.0715 0.4001 0.069 Uiso 1 1 d R . .
O24 O 0.8808(5) 0.9466(3) 0.3355(4) 0.089(2) Uani 1 1 d . . .
H24A H 0.8076 0.9659 0.3464 0.107 Uiso 1 1 d R . .
H24B H 0.8663 0.9004 0.3153 0.107 Uiso 1 1 d 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'
P P 0.1023 0.0942 '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'
Mn Mn 0.3368 0.7283 '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
O13 Mn1 O17 168.20(10) 4_665 . ?
O13 Mn1 O7 94.00(9) 4_665 . ?
O17 Mn1 O7 86.81(9) . . ?
O13 Mn1 O15 90.72(10) 4_665 . ?
O17 Mn1 O15 101.06(10) . . ?
O7 Mn1 O15 89.87(9) . . ?
O13 Mn1 O11 84.99(9) 4_665 1_655 ?
O17 Mn1 O11 83.52(9) . 1_655 ?
O7 Mn1 O11 106.91(9) . 1_655 ?
O15 Mn1 O11 162.91(10) . 1_655 ?
O13 Mn1 O16 93.39(10) 4_665 . ?
O17 Mn1 O16 88.45(11) . . ?
O7 Mn1 O16 165.73(10) . . ?
O15 Mn1 O16 77.84(11) . . ?
O11 Mn1 O16 85.89(11) 1_655 . ?
O6 Mn2 O12 95.48(8) . . ?
O6 Mn2 O21 96.79(9) . . ?
O12 Mn2 O21 96.62(9) . . ?
O6 Mn2 O18 81.81(9) . . ?
O12 Mn2 O18 175.39(9) . . ?
O21 Mn2 O18 87.43(9) . . ?
O6 Mn2 O20 164.83(9) . . ?
O12 Mn2 O20 99.36(8) . . ?
O21 Mn2 O20 84.64(9) . . ?
O18 Mn2 O20 83.17(9) . . ?
O6 Mn2 O19 91.41(9) . . ?
O12 Mn2 O19 90.14(10) . . ?
O21 Mn2 O19 168.81(10) . . ?
O18 Mn2 O19 86.21(11) . . ?
O20 Mn2 O19 85.48(10) . . ?
O14 Cu1 O3 96.08(9) 4_665 . ?
O14 Cu1 O1 91.77(9) 4_665 . ?
O3 Cu1 O1 156.03(10) . . ?
O14 Cu1 N1 169.27(10) 4_665 . ?
O3 Cu1 N1 85.04(10) . . ?
O1 Cu1 N1 83.22(9) . . ?
O14 Cu1 O7 101.69(9) 4_665 . ?
O3 Cu1 O7 102.64(9) . . ?
O1 Cu1 O7 97.86(9) . . ?
N1 Cu1 O7 88.43(9) . . ?
O5 Cu2 O8 96.80(10) . . ?
O5 Cu2 O10 90.76(9) . . ?
O8 Cu2 O10 161.18(11) . . ?
O5 Cu2 N2 166.03(10) . . ?
O8 Cu2 N2 85.46(11) . . ?
O10 Cu2 N2 83.23(10) . . ?
O5 Cu2 O12 105.01(9) . . ?
O8 Cu2 O12 91.38(10) . . ?
O10 Cu2 O12 103.31(9) . . ?
N2 Cu2 O12 88.67(9) . . ?
O6 P1 O7 113.77(13) . . ?
O6 P1 O5 113.32(12) . . ?
O7 P1 O5 110.53(12) . . ?
O6 P1 C3 106.27(13) . . ?
O7 P1 C3 103.68(13) . . ?
O5 P1 C3 108.60(13) . . ?
O13 P2 O14 115.48(13) . . ?
O13 P2 O12 112.51(13) . . ?
O14 P2 O12 110.95(13) . . ?
O13 P2 C8 107.71(14) . . ?
O14 P2 C8 105.07(14) . . ?
O12 P2 C8 104.14(13) . . ?
N1 C1 C4 108.2(2) . . ?
N1 C1 H1A 110.1 . . ?
C4 C1 H1A 110.1 . . ?
N1 C1 H1B 110.1 . . ?
C4 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
N1 C2 C5 111.9(2) . . ?
N1 C2 H2A 109.2 . . ?
C5 C2 H2A 109.2 . . ?
N1 C2 H2B 109.2 . . ?
C5 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
N1 C3 P1 111.98(19) . . ?
N1 C3 H3A 109.2 . . ?
P1 C3 H3A 109.2 . . ?
N1 C3 H3B 109.2 . . ?
P1 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
O2 C4 O1 124.4(3) . . ?
O2 C4 C1 119.1(3) . . ?
O1 C4 C1 116.5(3) . . ?
O4 C5 O3 123.8(3) . . ?
O4 C5 C2 118.0(3) . . ?
O3 C5 C2 118.2(3) . . ?
N2 C6 C9 111.3(3) . . ?
N2 C6 H6A 109.4 . . ?
C9 C6 H6A 109.4 . . ?
N2 C6 H6B 109.4 . . ?
C9 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
N2 C7 C10 109.5(2) . . ?
N2 C7 H7A 109.8 . . ?
C10 C7 H7A 109.8 . . ?
N2 C7 H7B 109.8 . . ?
C10 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
N2 C8 P2 112.4(2) . . ?
N2 C8 H8A 109.6 . . ?
P2 C8 H8A 112.0 . . ?
N2 C8 H8B 107.0 . . ?
P2 C8 H8B 109.5 . . ?
H8A C8 H8B 105.9 . . ?
O9 C9 O8 122.8(3) . . ?
O9 C9 C6 118.7(3) . . ?
O8 C9 C6 118.5(3) . . ?
O11 C10 O10 123.4(3) . . ?
O11 C10 C7 120.1(3) . . ?
O10 C10 C7 116.5(3) . . ?
C1 N1 C2 113.3(2) . . ?
C1 N1 C3 109.7(2) . . ?
C2 N1 C3 112.1(2) . . ?
C1 N1 Cu1 103.52(17) . . ?
C2 N1 Cu1 108.68(17) . . ?
C3 N1 Cu1 109.07(17) . . ?
C7 N2 C6 114.6(2) . . ?
C7 N2 C8 109.7(2) . . ?
C6 N2 C8 112.5(2) . . ?
C7 N2 Cu2 103.86(19) . . ?
C6 N2 Cu2 108.0(2) . . ?
C8 N2 Cu2 107.69(19) . . ?
C4 O1 Cu1 113.27(19) . . ?
C5 O3 Cu1 115.0(2) . . ?
P1 O5 Cu2 128.41(13) . . ?
P1 O6 Mn2 145.48(14) . . ?
P1 O7 Mn1 133.16(13) . . ?
P1 O7 Cu1 105.35(11) . . ?
Mn1 O7 Cu1 121.28(10) . . ?
C9 O8 Cu2 115.1(2) . . ?
C10 O10 Cu2 113.3(2) . . ?
C10 O11 Mn1 138.6(2) . 1_455 ?
P2 O12 Mn2 126.04(13) . . ?
P2 O12 Cu2 105.27(11) . . ?
Mn2 O12 Cu2 118.73(10) . . ?
P2 O13 Mn1 144.40(15) . 4_566 ?
P2 O14 Cu1 136.50(14) . 4_566 ?
Mn1 O15 H15A 110.3 . . ?
Mn1 O15 H15B 141.4 . . ?
H15A O15 H15B 108.0 . . ?
Mn1 O16 H16A 129.3 . . ?
Mn1 O16 H16B 102.4 . . ?
H16A O16 H16B 108.0 . . ?
Mn1 O17 H17A 125.7 . . ?
Mn1 O17 H17B 123.9 . . ?
H17A O17 H17B 107.4 . . ?
Mn2 O18 H18A 137.2 . . ?
Mn2 O18 H18B 107.5 . . ?
H18A O18 H18B 107.8 . . ?
Mn2 O19 H19A 100.5 . . ?
Mn2 O19 H19B 100.5 . . ?
H19A O19 H19B 107.6 . . ?
Mn2 O20 H20A 133.2 . . ?
Mn2 O20 H20B 117.8 . . ?
H20A O20 H20B 107.4 . . ?
Mn2 O21 H21A 137.8 . . ?
Mn2 O21 H21B 114.6 . . ?
H21A O21 H21B 107.4 . . ?
H22A O22 H22B 107.9 . . ?
H23A O23 H23B 107.8 . . ?
H24A O24 H24B 107.8 . . ?
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
Mn1 O13 2.049(2) 4_665 ?
Mn1 O17 2.133(2) . ?
Mn1 O7 2.160(2) . ?
Mn1 O15 2.175(3) . ?
Mn1 O11 2.199(2) 1_655 ?
Mn1 O16 2.243(3) . ?
Mn2 O6 2.098(2) . ?
Mn2 O12 2.121(2) . ?
Mn2 O21 2.188(2) . ?
Mn2 O18 2.213(2) . ?
Mn2 O20 2.235(2) . ?
Mn2 O19 2.270(3) . ?
Cu1 O14 1.894(2) 4_665 ?
Cu1 O3 1.965(2) . ?
Cu1 O1 1.978(2) . ?
Cu1 N1 2.021(2) . ?
Cu1 O7 2.281(2) . ?
Cu2 O5 1.914(2) . ?
Cu2 O8 1.940(3) . ?
Cu2 O10 1.960(2) . ?
Cu2 N2 2.015(3) . ?
Cu2 O12 2.317(2) . ?
P1 O6 1.510(2) . ?
P1 O7 1.525(2) . ?
P1 O5 1.527(2) . ?
P1 C3 1.807(3) . ?
P2 O13 1.504(2) . ?
P2 O14 1.514(2) . ?
P2 O12 1.532(2) . ?
P2 C8 1.814(3) . ?
C1 N1 1.477(4) . ?
C1 C4 1.524(4) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 N1 1.483(4) . ?
C2 C5 1.514(4) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 N1 1.489(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 O2 1.244(4) . ?
C4 O1 1.268(4) . ?
C5 O4 1.241(4) . ?
C5 O3 1.279(4) . ?
C6 N2 1.484(4) . ?
C6 C9 1.517(5) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 N2 1.481(4) . ?
C7 C10 1.520(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 N2 1.484(4) . ?
C8 H8A 0.9768 . ?
C8 H8B 1.0213 . ?
C9 O9 1.245(4) . ?
C9 O8 1.270(4) . ?
C10 O11 1.236(4) . ?
C10 O10 1.278(4) . ?
O11 Mn1 2.199(2) 1_455 ?
O13 Mn1 2.049(2) 4_566 ?
O14 Cu1 1.894(2) 4_566 ?
O15 H15A 0.8476 . ?
O15 H15B 0.8469 . ?
O16 H16A 0.8460 . ?
O16 H16B 0.8478 . ?
O17 H17A 0.8464 . ?
O17 H17B 0.8458 . ?
O18 H18A 0.8467 . ?
O18 H18B 0.8484 . ?
O19 H19A 0.8427 . ?
O19 H19B 0.8482 . ?
O20 H20A 0.8436 . ?
O20 H20B 0.8471 . ?
O21 H21A 0.8467 . ?
O21 H21B 0.8440 . ?
O22 H22A 0.8480 . ?
O22 H22B 0.8470 . ?
O23 H23A 0.8437 . ?
O23 H23B 0.8485 . ?
O24 H24A 0.8434 . ?
O24 H24B 0.8486 . ?
