#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:21:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179687 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/09/7000948.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_7000948
loop_
_publ_author_name
'Jia, Qin-Xiang'
'Sun, Wei-Wei'
'Yao, Cheng-Fu'
'Wu, Hai-Hong'
'Gao, En-Qing'
'Liu, Cai-Ming'
_publ_section_title
;
 Coordination chemistry of tetrazolate-5-carboxylate with
 manganese(ii): synthesis, structure and magnetism
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              2721
_journal_page_last               2730
_journal_paper_doi               10.1039/b818915c
_journal_year                    2009
_chemical_formula_sum            'C2 H4 Mn N4 O4'
_chemical_formula_weight         203.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 97.953(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.3545(19)
_cell_length_b                   6.4339(19)
_cell_length_c                   15.144(5)
_cell_measurement_reflns_used    822
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.686
_cell_measurement_theta_min      2.716
_cell_volume                     613.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0528
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2944
_diffrn_reflns_theta_full        27.15
_diffrn_reflns_theta_max         27.15
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    2.123
_exptl_absorpt_correction_T_max  0.9013
_exptl_absorpt_correction_T_min  0.8158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         1350
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0509
_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)+(0.0374P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0964
_refine_ls_wR_factor_ref         0.1033
_reflns_number_gt                1041
_reflns_number_total             1350
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818915c.txt
_cod_data_source_block           2
_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)/c '
_cod_database_code               7000948
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.40531(10) 0.10973(9) 0.17026(4) 0.0349(2) Uani 1 1 d . . .
C1 C 0.3617(10) 0.5938(12) 0.1310(5) 0.0278(12) Uani 0.579(5) 1 d P . 1
C1' C 0.2447(14) 0.3676(14) -0.0051(7) 0.0278(12) Uani 0.421(5) 1 d P . 2
C2 C 0.2780(17) 0.4722(16) 0.0517(9) 0.0278(12) Uani 0.579(5) 1 d P . 1
C2' C 0.311(2) 0.515(2) 0.0672(14) 0.0278(12) Uani 0.421(5) 1 d P . 2
N1 N 0.2680(10) 0.2623(10) 0.0534(5) 0.0230(15) Uani 0.579(5) 1 d P . 1
N1' N 0.3816(15) 0.4527(15) 0.1502(7) 0.029(2) Uani 0.421(5) 1 d P . 2
N2 N 0.2007(11) 0.2025(10) -0.0308(5) 0.0296(17) Uani 0.579(5) 1 d P . 1
N2' N 0.4337(12) 0.6202(15) 0.1984(6) 0.029(2) Uani 0.421(5) 1 d P . 2
N3 N 0.171(2) 0.3691(13) -0.0826(10) 0.026(2) Uani 0.579(5) 1 d P . 1
N3' N 0.392(4) 0.780(5) 0.1495(13) 0.026(2) Uani 0.421(5) 1 d P . 2
N4 N 0.2201(9) 0.5420(9) -0.0314(4) 0.0279(15) Uani 0.579(5) 1 d P . 1
N4' N 0.3109(13) 0.7265(12) 0.0636(6) 0.028(2) Uani 0.421(5) 1 d P . 2
O1 O 0.4305(9) 0.4822(11) 0.1990(4) 0.0293(13) Uani 0.579(5) 1 d P . 1
O1' O 0.2536(15) 0.1813(15) 0.0183(6) 0.034(2) Uani 0.421(5) 1 d P . 2
O2 O 0.360(2) 0.787(2) 0.1252(6) 0.035(3) Uani 0.579(5) 1 d P . 1
O2' O 0.195(2) 0.4406(16) -0.0797(12) 0.032(3) Uani 0.421(5) 1 d P . 2
O3 O 0.1212(5) 0.1095(5) 0.2324(2) 0.0476(8) Uani 1 1 d D . .
H3B H -0.002(4) 0.122(7) 0.207(2) 0.056(16) Uiso 1 1 d D . .
H3A H 0.125(7) 0.118(8) 0.2885(13) 0.068(18) Uiso 1 1 d D . .
O4 O 0.7223(5) 0.1231(6) 0.1252(2) 0.0446(8) Uani 1 1 d D . .
H4B H 0.742(8) 0.033(5) 0.088(2) 0.057(17) Uiso 1 1 d D . .
H4A H 0.721(10) 0.243(4) 0.102(3) 0.12(3) 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
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'
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
N1 Mn1 N2' 150.3(3) . 2_645 ?
N1 Mn1 N3' 109.5(5) . 1_545 ?
N2' Mn1 N3' 100.0(6) 2_645 1_545 ?
N1 Mn1 O3 95.32(19) . . ?
N2' Mn1 O3 85.1(2) 2_645 . ?
N3' Mn1 O3 92.5(7) 1_545 . ?
N1 Mn1 O2 99.1(3) . 1_545 ?
N2' Mn1 O2 110.5(3) 2_645 1_545 ?
N3' Mn1 O2 10.4(6) 1_545 1_545 ?
O3 Mn1 O2 93.0(4) . 1_545 ?
N1 Mn1 O4 90.67(19) . . ?
N2' Mn1 O4 86.9(2) 2_645 . ?
N3' Mn1 O4 90.8(7) 1_545 . ?
O3 Mn1 O4 171.78(13) . . ?
O2 Mn1 O4 91.5(4) 1_545 . ?
N1 Mn1 N1' 54.0(3) . . ?
N2' Mn1 N1' 96.4(4) 2_645 . ?
N3' Mn1 N1' 163.4(5) 1_545 . ?
O3 Mn1 N1' 90.9(2) . . ?
O2 Mn1 N1' 153.1(3) 1_545 . ?
O4 Mn1 N1' 88.1(2) . . ?
N1 Mn1 O1 173.3(2) . 2_645 ?
N2' Mn1 O1 23.1(2) 2_645 2_645 ?
N3' Mn1 O1 76.9(5) 1_545 2_645 ?
O3 Mn1 O1 86.00(16) . 2_645 ?
O2 Mn1 O1 87.4(3) 1_545 2_645 ?
O4 Mn1 O1 87.41(16) . 2_645 ?
N1' Mn1 O1 119.5(3) . 2_645 ?
N1 Mn1 O1' 17.2(2) . . ?
N2' Mn1 O1' 166.2(3) 2_645 . ?
N3' Mn1 O1' 92.7(5) 1_545 . ?
O3 Mn1 O1' 99.7(2) . . ?
O2 Mn1 O1' 82.3(3) 1_545 . ?
O4 Mn1 O1' 87.7(2) . . ?
N1' Mn1 O1' 70.8(3) . . ?
O1 Mn1 O1' 168.4(3) 2_645 . ?
N1 Mn1 O1 72.6(2) . . ?
N2' Mn1 O1 77.8(3) 2_645 . ?
N3' Mn1 O1 177.8(5) 1_545 . ?
O3 Mn1 O1 87.75(16) . . ?
O2 Mn1 O1 171.7(2) 1_545 . ?
O4 Mn1 O1 88.68(16) . . ?
N1' Mn1 O1 18.7(2) . . ?
O1 Mn1 O1 100.94(17) 2_645 . ?
O1' Mn1 O1 89.4(3) . . ?
O2 C1 O1 127.9(10) . . ?
O2 C1 C2 118.3(8) . . ?
O1 C1 C2 113.7(10) . . ?
O2' C1' O1' 128.8(11) . . ?
O2' C1' C2' 116.8(12) . . ?
O1' C1' C2' 114.4(12) . . ?
N4 C2 N1 110.2(9) . . ?
N4 C2 C1 127.6(9) . . ?
N1 C2 C1 121.9(12) . . ?
N1' C2' N4' 109.5(12) . . ?
N1' C2' C1' 122.2(13) . . ?
N4' C2' C1' 128.3(17) . . ?
N2 N1 C2 106.1(8) . . ?
N2 N1 Mn1 134.8(5) . . ?
C2 N1 Mn1 117.8(8) . . ?
N2' N1' C2' 107.6(10) . . ?
N2' N1' Mn1 136.7(9) . . ?
C2' N1' Mn1 115.6(8) . . ?
N3 N2 N1 109.3(8) . . ?
N3' N2' N1' 108.8(14) . . ?
N3' N2' Mn1 127.6(13) . 2_655 ?
N1' N2' Mn1 123.2(8) . 2_655 ?
N2 N3 N4 108.6(12) . . ?
N2' N3' N4' 112(2) . . ?
N2' N3' Mn1 135.4(16) . 1_565 ?
N4' N3' Mn1 112.8(14) . 1_565 ?
C2 N4 N3 105.8(9) . . ?
C2' N4' N3' 102.4(16) . . ?
C1 O1 Mn1 124.4(6) . 2_655 ?
C1 O1 Mn1 113.7(6) . . ?
Mn1 O1 Mn1 121.6(3) 2_655 . ?
C1' O1' Mn1 116.7(8) . . ?
C1 O2 Mn1 157.4(7) . 1_565 ?
Mn1 O3 H3B 127(3) . . ?
Mn1 O3 H3A 122(3) . . ?
H3B O3 H3A 111(3) . . ?
Mn1 O4 H4B 114(3) . . ?
Mn1 O4 H4A 102(4) . . ?
H4B O4 H4A 110(3) . . ?
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 N1 2.104(7) . ?
Mn1 N2' 2.109(9) 2_645 ?
Mn1 N3' 2.15(3) 1_545 ?
Mn1 O3 2.148(3) . ?
Mn1 O2 2.194(16) 1_545 ?
Mn1 O4 2.216(3) . ?
Mn1 N1' 2.230(10) . ?
Mn1 O1 2.261(7) 2_645 ?
Mn1 O1' 2.413(10) . ?
Mn1 O1 2.437(7) . ?
C1 O2 1.244(18) . ?
C1 O1 1.282(10) . ?
C1 C2 1.469(12) . ?
C1' O2' 1.22(2) . ?
C1' O1' 1.249(14) . ?
C1' C2' 1.464(17) . ?
C2 N4 1.339(15) . ?
C2 N1 1.352(12) . ?
C2' N1' 1.34(2) . ?
C2' N4' 1.362(17) . ?
N1 N2 1.344(10) . ?
N1' N2' 1.317(13) . ?
N2 N3 1.327(14) . ?
N2' N3' 1.27(3) . ?
N2' Mn1 2.109(9) 2_655 ?
N3 N4 1.367(11) . ?
N3' N4' 1.37(2) . ?
N3' Mn1 2.15(3) 1_565 ?
O1 Mn1 2.261(7) 2_655 ?
O2 Mn1 2.194(16) 1_565 ?
O3 H3B 0.825(19) . ?
O3 H3A 0.849(19) . ?
O4 H4B 0.829(19) . ?
O4 H4A 0.849(19) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3B O4 0.825(19) 2.00(2) 2.816(5) 168(4) 1_455
O3 H3A N3 0.849(19) 1.93(2) 2.778(16) 173(4) 4_566
O3 H3A O2' 0.849(19) 2.02(3) 2.838(18) 162(5) 4_566
O4 H4B N2 0.829(19) 1.81(2) 2.619(8) 166(5) 3_655
O4 H4B O1' 0.829(19) 2.12(2) 2.945(10) 171(5) 3_655
O4 H4A N4 0.849(19) 1.82(3) 2.634(6) 161(5) 3_665
O4 H4A O2' 0.849(19) 2.14(3) 2.954(11) 160(6) 3_665
O4 H4A N4' 0.849(19) 2.49(5) 2.998(9) 119(4) 3_665
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
O2 C1 C2 N4 8.5(15) . . . . ?
O1 C1 C2 N4 -171.1(9) . . . . ?
O2 C1 C2 N1 -177.8(10) . . . . ?
O1 C1 C2 N1 2.7(12) . . . . ?
O2' C1' C2' N1' -175.5(13) . . . . ?
O1' C1' C2' N1' 2.3(17) . . . . ?
O2' C1' C2' N4' 5(2) . . . . ?
O1' C1' C2' N4' -177.2(12) . . . . ?
N4 C2 N1 N2 -0.5(10) . . . . ?
C1 C2 N1 N2 -175.2(8) . . . . ?
N4 C2 N1 Mn1 168.6(6) . . . . ?
C1 C2 N1 Mn1 -6.1(12) . . . . ?
N2' Mn1 N1 N2 166.4(6) 2_645 . . . ?
N3' Mn1 N1 N2 -9.6(10) 1_545 . . . ?
O3 Mn1 N1 N2 -104.2(7) . . . . ?
O2 Mn1 N1 N2 -10.3(8) 1_545 . . . ?
O4 Mn1 N1 N2 81.4(7) . . . . ?
N1' Mn1 N1 N2 168.6(9) . . . . ?
O1 Mn1 N1 N2 154.7(15) 2_645 . . . ?
O1' Mn1 N1 N2 1.6(9) . . . . ?
O1 Mn1 N1 N2 169.8(8) . . . . ?
N2' Mn1 N1 C2 1.3(10) 2_645 . . . ?
N3' Mn1 N1 C2 -174.7(10) 1_545 . . . ?
O3 Mn1 N1 C2 90.7(7) . . . . ?
O2 Mn1 N1 C2 -175.4(7) 1_545 . . . ?
O4 Mn1 N1 C2 -83.7(7) . . . . ?
N1' Mn1 N1 C2 3.5(7) . . . . ?
O1 Mn1 N1 C2 -10(2) 2_645 . . . ?
O1' Mn1 N1 C2 -163.5(14) . . . . ?
O1 Mn1 N1 C2 4.7(7) . . . . ?
N4' C2' N1' N2' -2.3(14) . . . . ?
C1' C2' N1' N2' 178.2(10) . . . . ?
N4' C2' N1' Mn1 -178.0(7) . . . . ?
C1' C2' N1' Mn1 2.4(16) . . . . ?
N1 Mn1 N1' N2' 178.3(11) . . . . ?
N2' Mn1 N1' N2' -2.8(11) 2_645 . . . ?
N3' Mn1 N1' N2' -176(2) 1_545 . . . ?
O3 Mn1 N1' N2' 82.4(10) . . . . ?
O2 Mn1 N1' N2' -179.2(10) 1_545 . . . ?
O4 Mn1 N1' N2' -89.5(10) . . . . ?
O1 Mn1 N1' N2' -3.5(11) 2_645 . . . ?
O1' Mn1 N1' N2' -177.6(10) . . . . ?
O1 Mn1 N1' N2' 2.0(6) . . . . ?
N1 Mn1 N1' C2' -7.6(8) . . . . ?
N2' Mn1 N1' C2' 171.3(9) 2_645 . . . ?
N3' Mn1 N1' C2' -2(3) 1_545 . . . ?
O3 Mn1 N1' C2' -103.6(9) . . . . ?
O2 Mn1 N1' C2' -5.1(15) 1_545 . . . ?
O4 Mn1 N1' C2' 84.6(9) . . . . ?
O1 Mn1 N1' C2' 170.5(8) 2_645 . . . ?
O1' Mn1 N1' C2' -3.6(9) . . . . ?
O1 Mn1 N1' C2' 176.1(16) . . . . ?
C2 N1 N2 N3 0.3(10) . . . . ?
Mn1 N1 N2 N3 -166.0(7) . . . . ?
C2' N1' N2' N3' 2.1(16) . . . . ?
Mn1 N1' N2' N3' 176.4(13) . . . . ?
C2' N1' N2' Mn1 -171.1(8) . . . 2_655 ?
Mn1 N1' N2' Mn1 3.3(13) . . . 2_655 ?
N1 N2 N3 N4 -0.1(11) . . . . ?
N1' N2' N3' N4' -1(2) . . . . ?
Mn1 N2' N3' N4' 171.7(9) 2_655 . . . ?
N1' N2' N3' Mn1 176.0(17) . . . 1_565 ?
Mn1 N2' N3' Mn1 -11(3) 2_655 . . 1_565 ?
N1 C2 N4 N3 0.4(11) . . . . ?
C1 C2 N4 N3 174.7(10) . . . . ?
N2 N3 N4 C2 -0.2(12) . . . . ?
N1' C2' N4' N3' 1.5(17) . . . . ?
C1' C2' N4' N3' -178.9(16) . . . . ?
N2' N3' N4' C2' 0(2) . . . . ?
Mn1 N3' N4' C2' -178.1(11) 1_565 . . . ?
O2 C1 O1 Mn1 -4.6(12) . . . 2_655 ?
C2 C1 O1 Mn1 174.9(6) . . . 2_655 ?
O2 C1 O1 Mn1 -178.0(9) . . . . ?
C2 C1 O1 Mn1 1.6(8) . . . . ?
N1 Mn1 O1 C1 -3.4(5) . . . . ?
N2' Mn1 O1 C1 174.8(5) 2_645 . . . ?
N3' Mn1 O1 C1 163(18) 1_545 . . . ?
O3 Mn1 O1 C1 -99.7(5) . . . . ?
O2 Mn1 O1 C1 -4(3) 1_545 . . . ?
O4 Mn1 O1 C1 87.7(4) . . . . ?
N1' Mn1 O1 C1 -0.3(8) . . . . ?
O1 Mn1 O1 C1 174.8(5) 2_645 . . . ?
O1' Mn1 O1 C1 0.0(5) . . . . ?
N1 Mn1 O1 Mn1 -177.0(3) . . . 2_655 ?
N2' Mn1 O1 Mn1 1.3(3) 2_645 . . 2_655 ?
N3' Mn1 O1 Mn1 -11(18) 1_545 . . 2_655 ?
O3 Mn1 O1 Mn1 86.7(2) . . . 2_655 ?
O2 Mn1 O1 Mn1 -178(3) 1_545 . . 2_655 ?
O4 Mn1 O1 Mn1 -85.9(2) . . . 2_655 ?
N1' Mn1 O1 Mn1 -173.9(11) . . . 2_655 ?
O1 Mn1 O1 Mn1 1.23(12) 2_645 . . 2_655 ?
O1' Mn1 O1 Mn1 -173.5(3) . . . 2_655 ?
O2' C1' O1' Mn1 171.9(11) . . . . ?
C2' C1' O1' Mn1 -5.5(12) . . . . ?
N1 Mn1 O1' C1' 16.3(8) . . . . ?
N2' Mn1 O1' C1' -16.8(17) 2_645 . . . ?
N3' Mn1 O1' C1' -174.3(10) 1_545 . . . ?
O3 Mn1 O1' C1' 92.7(7) . . . . ?
O2 Mn1 O1' C1' -175.5(8) 1_545 . . . ?
O4 Mn1 O1' C1' -83.6(7) . . . . ?
N1' Mn1 O1' C1' 5.2(7) . . . . ?
O1 Mn1 O1' C1' -148.5(10) 2_645 . . . ?
O1 Mn1 O1' C1' 5.1(7) . . . . ?
O1 C1 O2 Mn1 -4(3) . . . 1_565 ?
C2 C1 O2 Mn1 177(2) . . . 1_565 ?
