#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:05:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179714 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001611.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_7001611
loop_
_publ_author_name
'Chen, Zilu'
'Li, Yan'
'Jiang, Chunfang'
'Liang, Fupei'
'Song, You'
_publ_section_title
;
 Metal complexes with N-(2-pyridylmethyl)iminodiacetate: from discrete
 polynuclear compounds to 1D coordination polymers
;
_journal_issue                   27
_journal_name_full               'Dalton Transactions'
_journal_page_first              5290
_journal_page_last               5299
_journal_paper_doi               10.1039/b902674f
_journal_year                    2009
_chemical_formula_moiety         'C30 H36 Mn3 N6 Na O15, Cl O4'
_chemical_formula_sum            'C30 H36 Cl Mn3 N6 Na O19'
_chemical_formula_weight         1007.91
_chemical_name_systematic
;
?
;
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_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                   14.1511(5)
_cell_length_b                   14.1511(5)
_cell_length_c                   11.1513(8)
_cell_measurement_reflns_used    4364
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.3232
_cell_volume                     1933.91(17)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15069
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    1.133
_exptl_absorpt_correction_T_max  0.7886
_exptl_absorpt_correction_T_min  0.6600
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1998)'
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1026
_exptl_crystal_size_max          0.4000
_exptl_crystal_size_mid          0.2500
_exptl_crystal_size_min          0.2200
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     189
_refine_ls_number_reflns         2967
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0435
_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)+(0.0426P)²+1.2074P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                2667
_reflns_number_total             2967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b902674f.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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-3
_cod_database_code               7001611
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
Mn1 Mn 0.39206(3) 0.49451(3) 0.80893(3) 0.02717(13) Uani 1 1 d . . .
Na1 Na 0.3333 0.6667 0.93696(16) 0.0332(4) Uani 1 3 d S . .
Cl1 Cl 0.0000 0.0000 0.6942(2) 0.0705(5) Uani 1 3 d S . .
C1 C 0.4177(2) 0.5627(2) 0.5264(3) 0.0419(6) Uani 1 1 d . . .
H1A H 0.4684 0.6321 0.5535 0.050 Uiso 1 1 calc R . .
C2 C 0.3911(3) 0.5490(3) 0.4067(3) 0.0494(7) Uani 1 1 d . . .
H2A H 0.4245 0.6075 0.3539 0.059 Uiso 1 1 calc R . .
C3 C 0.3145(3) 0.4477(3) 0.3664(3) 0.0494(7) Uani 1 1 d . . .
H3A H 0.2949 0.4366 0.2859 0.059 Uiso 1 1 calc R . .
C4 C 0.2667(2) 0.3624(2) 0.4472(3) 0.0419(6) Uani 1 1 d . . .
H4A H 0.2133 0.2934 0.4221 0.050 Uiso 1 1 calc R . .
C5 C 0.29950(19) 0.3811(2) 0.5661(2) 0.0319(5) Uani 1 1 d . . .
C6 C 0.2586(2) 0.28950(19) 0.6554(2) 0.0346(6) Uani 1 1 d . . .
H6A H 0.1900 0.2293 0.6268 0.042 Uiso 1 1 calc R . .
H6B H 0.3106 0.2640 0.6607 0.042 Uiso 1 1 calc R . .
C7 C 0.13838(18) 0.32307(18) 0.7848(3) 0.0318(5) Uani 1 1 d . . .
H7A H 0.0973 0.2796 0.8532 0.038 Uiso 1 1 calc R . .
H7B H 0.0953 0.2895 0.7134 0.038 Uiso 1 1 calc R . .
C8 C 0.15462(18) 0.43674(18) 0.7977(2) 0.0260(5) Uani 1 1 d . . .
C9 C 0.25135(19) 0.2514(2) 0.8682(2) 0.0335(5) Uani 1 1 d . . .
H9A H 0.2082 0.1755 0.8444 0.040 Uiso 1 1 calc R . .
H9B H 0.2229 0.2603 0.9439 0.040 Uiso 1 1 calc R . .
C10 C 0.36977(19) 0.2810(2) 0.8841(2) 0.0310(5) Uani 1 1 d . . .
N1 N 0.24173(15) 0.32114(14) 0.77639(18) 0.0271(4) Uani 1 1 d . . .
N2 N 0.37394(16) 0.48065(16) 0.6060(2) 0.0324(5) Uani 1 1 d . . .
O1 O 0.38781(16) 0.20965(15) 0.92231(19) 0.0453(5) Uani 1 1 d . . .
O1W O 0.37804(17) 0.53507(16) 1.00030(17) 0.0346(4) Uani 1 1 d . . .
H1B H 0.426(3) 0.555(3) 1.046(3) 0.059(11) Uiso 1 1 d . . .
H1C H 0.323(4) 0.488(4) 1.026(4) 0.093(15) Uiso 1 1 d . . .
O2 O 0.44273(13) 0.37868(14) 0.85846(17) 0.0360(4) Uani 1 1 d . . .
O3 O 0.06999(13) 0.44412(13) 0.80174(18) 0.0357(4) Uani 1 1 d . . .
O4 O 0.24963(12) 0.51790(12) 0.80299(16) 0.0302(4) Uani 1 1 d . . .
O6 O 0.0000 0.0000 0.8271(9) 0.167(3) Uani 1 3 d S . .
O7 O -0.0146(2) 0.08621(18) 0.6549(4) 0.0997(13) Uani 1 1 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
O3 Mn1 O2 92.43(6) 2_665 . ?
O3 Mn1 O4 123.17(6) 2_665 . ?
O2 Mn1 O4 142.84(6) . . ?
O3 Mn1 O1W 90.54(8) 2_665 . ?
O2 Mn1 O1W 93.22(7) . . ?
O4 Mn1 O1W 77.61(7) . . ?
O3 Mn1 N2 93.70(8) 2_665 . ?
O2 Mn1 N2 104.74(7) . . ?
O4 Mn1 N2 84.88(7) . . ?
O1W Mn1 N2 161.33(7) . . ?
O3 Mn1 N1 159.07(7) 2_665 . ?
O2 Mn1 N1 73.55(6) . . ?
O4 Mn1 N1 74.44(6) . . ?
O1W Mn1 N1 105.41(7) . . ?
N2 Mn1 N1 75.57(7) . . ?
O3 Mn1 Na1 86.40(5) 2_665 . ?
O2 Mn1 Na1 139.20(6) . . ?
O4 Mn1 Na1 46.20(4) . . ?
O1W Mn1 Na1 46.07(6) . . ?
N2 Mn1 Na1 116.04(6) . . ?
N1 Mn1 Na1 114.40(5) . . ?
O1W Na1 O1W 111.41(6) 3_565 2_665 ?
O1W Na1 O1W 111.41(6) 3_565 . ?
O1W Na1 O1W 111.41(6) 2_665 . ?
O1W Na1 O4 72.42(6) 3_565 3_565 ?
O1W Na1 O4 87.62(6) 2_665 3_565 ?
O1W Na1 O4 155.92(9) . 3_565 ?
O1W Na1 O4 87.62(6) 3_565 . ?
O1W Na1 O4 155.92(9) 2_665 . ?
O1W Na1 O4 72.42(6) . . ?
O4 Na1 O4 84.22(8) 3_565 . ?
O1W Na1 O4 155.92(9) 3_565 2_665 ?
O1W Na1 O4 72.42(6) 2_665 2_665 ?
O1W Na1 O4 87.62(6) . 2_665 ?
O4 Na1 O4 84.22(8) 3_565 2_665 ?
O4 Na1 O4 84.22(8) . 2_665 ?
O1W Na1 Mn1 43.35(5) 3_565 3_565 ?
O1W Na1 Mn1 124.10(5) 2_665 3_565 ?
O1W Na1 Mn1 124.02(5) . 3_565 ?
O4 Na1 Mn1 42.29(4) 3_565 3_565 ?
O4 Na1 Mn1 60.32(4) . 3_565 ?
O4 Na1 Mn1 113.94(7) 2_665 3_565 ?
O1W Na1 Mn1 124.02(5) 3_565 2_665 ?
O1W Na1 Mn1 43.35(5) 2_665 2_665 ?
O1W Na1 Mn1 124.10(5) . 2_665 ?
O4 Na1 Mn1 60.32(4) 3_565 2_665 ?
O4 Na1 Mn1 113.94(7) . 2_665 ?
O4 Na1 Mn1 42.29(4) 2_665 2_665 ?
Mn1 Na1 Mn1 102.35(4) 3_565 2_665 ?
O1W Na1 Mn1 124.10(5) 3_565 . ?
O1W Na1 Mn1 124.02(5) 2_665 . ?
O1W Na1 Mn1 43.35(5) . . ?
O4 Na1 Mn1 113.94(7) 3_565 . ?
O4 Na1 Mn1 42.29(4) . . ?
O4 Na1 Mn1 60.32(4) 2_665 . ?
Mn1 Na1 Mn1 102.35(4) 3_565 . ?
Mn1 Na1 Mn1 102.35(4) 2_665 . ?
O1W Na1 H1C 94.7(10) 3_565 . ?
O1W Na1 H1C 122.4(10) 2_665 . ?
O1W Na1 H1C 16.8(10) . . ?
O4 Na1 H1C 150.0(10) 3_565 . ?
O4 Na1 H1C 67.9(10) . . ?
O4 Na1 H1C 103.0(10) 2_665 . ?
Mn1 Na1 H1C 110.4(10) 3_565 . ?
Mn1 Na1 H1C 140.9(10) 2_665 . ?
Mn1 Na1 H1C 50.8(10) . . ?
O7 Cl1 O7 110.72(18) 2 . ?
O7 Cl1 O7 110.72(18) 2 3 ?
O7 Cl1 O7 110.72(18) . 3 ?
O7 Cl1 O6 108.19(19) 2 . ?
O7 Cl1 O6 108.19(19) . . ?
O7 Cl1 O6 108.19(19) 3 . ?
N2 C1 C2 123.0(3) . . ?
N2 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C3 C2 C1 118.9(3) . . ?
C3 C2 H2A 120.5 . . ?
C1 C2 H2A 120.5 . . ?
C2 C3 C4 119.1(3) . . ?
C2 C3 H3A 120.5 . . ?
C4 C3 H3A 120.5 . . ?
C3 C4 C5 119.1(3) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
N2 C5 C4 121.9(2) . . ?
N2 C5 C6 116.5(2) . . ?
C4 C5 C6 121.5(2) . . ?
N1 C6 C5 113.27(19) . . ?
N1 C6 H6A 108.9 . . ?
C5 C6 H6A 108.9 . . ?
N1 C6 H6B 108.9 . . ?
C5 C6 H6B 108.9 . . ?
H6A C6 H6B 107.7 . . ?
N1 C7 C8 113.54(18) . . ?
N1 C7 H7A 108.9 . . ?
C8 C7 H7A 108.9 . . ?
N1 C7 H7B 108.9 . . ?
C8 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
O3 C8 O4 123.4(2) . . ?
O3 C8 C7 116.62(19) . . ?
O4 C8 C7 119.95(19) . . ?
N1 C9 C10 110.8(2) . . ?
N1 C9 H9A 109.5 . . ?
C10 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
O1 C10 O2 125.2(2) . . ?
O1 C10 C9 117.7(2) . . ?
O2 C10 C9 117.1(2) . . ?
C9 N1 C6 110.36(19) . . ?
C9 N1 C7 113.04(19) . . ?
C6 N1 C7 111.97(19) . . ?
C9 N1 Mn1 104.76(14) . . ?
C6 N1 Mn1 105.06(14) . . ?
C7 N1 Mn1 111.12(13) . . ?
C1 N2 C5 117.9(2) . . ?
C1 N2 Mn1 126.89(18) . . ?
C5 N2 Mn1 114.52(17) . . ?
Mn1 O1W Na1 90.58(8) . . ?
Mn1 O1W O1 107.52(9) . 6_557 ?
Na1 O1W O1 96.60(8) . 6_557 ?
Mn1 O1W O2 119.11(9) . 4_667 ?
Na1 O1W O2 112.34(9) . 4_667 ?
O1 O1W O2 123.38(9) 6_557 4_667 ?
Mn1 O1W H1B 123(3) . . ?
Na1 O1W H1B 116(3) . . ?
O1 O1W H1B 117(3) 6_557 . ?
Mn1 O1W H1C 108(3) . . ?
Na1 O1W H1C 103(3) . . ?
O2 O1W H1C 119(3) 4_667 . ?
H1B O1W H1C 113(4) . . ?
C10 O2 Mn1 118.84(14) . . ?
C8 O3 Mn1 113.41(14) . 3_565 ?
C8 O4 Mn1 120.31(14) . . ?
C8 O4 Na1 132.37(16) . . ?
Mn1 O4 Na1 91.50(6) . . ?
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 O3 2.1275(16) 2_665 ?
Mn1 O2 2.1636(17) . ?
Mn1 O4 2.2008(16) . ?
Mn1 O1W 2.244(2) . ?
Mn1 N2 2.275(2) . ?
Mn1 N1 2.3361(18) . ?
Mn1 Na1 3.2694(9) . ?
Na1 O1W 2.355(2) 3_565 ?
Na1 O1W 2.355(2) 2_665 ?
Na1 O1W 2.355(2) . ?
Na1 O4 2.3607(19) 3_565 ?
Na1 O4 2.361(2) . ?
Na1 O4 2.361(2) 2_665 ?
Na1 Mn1 3.2694(9) 3_565 ?
Na1 Mn1 3.2694(9) 2_665 ?
Na1 H1C 2.65(5) . ?
Cl1 O7 1.405(2) 2 ?
Cl1 O7 1.405(2) . ?
Cl1 O7 1.405(2) 3 ?
Cl1 O6 1.482(9) . ?
C1 N2 1.342(3) . ?
C1 C2 1.374(4) . ?
C1 H1A 0.9300 . ?
C2 C3 1.370(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.382(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.386(4) . ?
C4 H4A 0.9300 . ?
C5 N2 1.345(3) . ?
C5 C6 1.502(4) . ?
C6 N1 1.478(3) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 N1 1.479(3) . ?
C7 C8 1.514(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O3 1.254(3) . ?
C8 O4 1.259(3) . ?
C9 N1 1.475(3) . ?
C9 C10 1.521(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 O1 1.234(3) . ?
C10 O2 1.277(3) . ?
O1W O1 2.682(3) 6_557 ?
O1W O2 2.703(3) 4_667 ?
O1W H1B 0.78(4) . ?
O1W H1C 0.79(5) . ?
O3 Mn1 2.1275(16) 3_565 ?
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
O1W H1C O1 0.79(5) 1.90(5) 2.682(3) 170(5) 6_557
O1W H1B O2 0.78(4) 1.93(4) 2.703(3) 171(4) 4_667
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
O3 Mn1 Na1 O1W -179.91(10) 2_665 . . 3_565 ?
O2 Mn1 Na1 O1W -90.36(11) . . . 3_565 ?
O4 Mn1 Na1 O1W 35.02(10) . . . 3_565 ?
O1W Mn1 Na1 O1W -85.69(10) . . . 3_565 ?
N2 Mn1 Na1 O1W 87.73(11) . . . 3_565 ?
N1 Mn1 Na1 O1W 2.49(11) . . . 3_565 ?
O3 Mn1 Na1 O1W -8.44(10) 2_665 . . 2_665 ?
O2 Mn1 Na1 O1W 81.12(11) . . . 2_665 ?
O4 Mn1 Na1 O1W -153.50(12) . . . 2_665 ?
O1W Mn1 Na1 O1W 85.79(10) . . . 2_665 ?
N2 Mn1 Na1 O1W -100.80(10) . . . 2_665 ?
N1 Mn1 Na1 O1W 173.97(9) . . . 2_665 ?
O3 Mn1 Na1 O1W -94.22(9) 2_665 . . . ?
O2 Mn1 Na1 O1W -4.66(10) . . . . ?
O4 Mn1 Na1 O1W 120.71(10) . . . . ?
N2 Mn1 Na1 O1W 173.42(9) . . . . ?
N1 Mn1 Na1 O1W 88.18(9) . . . . ?
O3 Mn1 Na1 O4 95.73(7) 2_665 . . 3_565 ?
O2 Mn1 Na1 O4 -174.71(8) . . . 3_565 ?
O4 Mn1 Na1 O4 -49.33(7) . . . 3_565 ?
O1W Mn1 Na1 O4 -170.04(8) . . . 3_565 ?
N2 Mn1 Na1 O4 3.37(7) . . . 3_565 ?
N1 Mn1 Na1 O4 -81.86(7) . . . 3_565 ?
O3 Mn1 Na1 O4 145.06(9) 2_665 . . . ?
O2 Mn1 Na1 O4 -125.38(10) . . . . ?
O1W Mn1 Na1 O4 -120.71(10) . . . . ?
N2 Mn1 Na1 O4 52.70(9) . . . . ?
N1 Mn1 Na1 O4 -32.53(9) . . . . ?
O3 Mn1 Na1 O4 28.05(7) 2_665 . . 2_665 ?
O2 Mn1 Na1 O4 117.61(9) . . . 2_665 ?
O4 Mn1 Na1 O4 -117.01(12) . . . 2_665 ?
O1W Mn1 Na1 O4 122.28(9) . . . 2_665 ?
N2 Mn1 Na1 O4 -64.31(8) . . . 2_665 ?
N1 Mn1 Na1 O4 -149.54(7) . . . 2_665 ?
O3 Mn1 Na1 Mn1 138.74(6) 2_665 . . 3_565 ?
O2 Mn1 Na1 Mn1 -131.70(7) . . . 3_565 ?
O4 Mn1 Na1 Mn1 -6.32(6) . . . 3_565 ?
O1W Mn1 Na1 Mn1 -127.04(8) . . . 3_565 ?
N2 Mn1 Na1 Mn1 46.38(6) . . . 3_565 ?
N1 Mn1 Na1 Mn1 -38.86(7) . . . 3_565 ?
O3 Mn1 Na1 Mn1 32.95(6) 2_665 . . 2_665 ?
O2 Mn1 Na1 Mn1 122.51(8) . . . 2_665 ?
O4 Mn1 Na1 Mn1 -112.12(8) . . . 2_665 ?
O1W Mn1 Na1 Mn1 127.17(8) . . . 2_665 ?
N2 Mn1 Na1 Mn1 -59.41(6) . . . 2_665 ?
N1 Mn1 Na1 Mn1 -144.65(6) . . . 2_665 ?
N2 C1 C2 C3 1.6(5) . . . . ?
C1 C2 C3 C4 -0.3(4) . . . . ?
C2 C3 C4 C5 -1.5(4) . . . . ?
C3 C4 C5 N2 2.2(4) . . . . ?
C3 C4 C5 C6 -174.0(2) . . . . ?
N2 C5 C6 N1 39.3(3) . . . . ?
C4 C5 C6 N1 -144.2(2) . . . . ?
N1 C7 C8 O3 178.0(2) . . . . ?
N1 C7 C8 O4 -1.6(3) . . . . ?
N1 C9 C10 O1 -154.7(2) . . . . ?
N1 C9 C10 O2 26.4(3) . . . . ?
C10 C9 N1 C6 73.1(2) . . . . ?
C10 C9 N1 C7 -160.7(2) . . . . ?
C10 C9 N1 Mn1 -39.5(2) . . . . ?
C5 C6 N1 C9 -154.2(2) . . . . ?
C5 C6 N1 C7 79.0(2) . . . . ?
C5 C6 N1 Mn1 -41.8(2) . . . . ?
C8 C7 N1 C9 124.1(2) . . . . ?
C8 C7 N1 C6 -110.5(2) . . . . ?
C8 C7 N1 Mn1 6.7(3) . . . . ?
O3 Mn1 N1 C9 81.3(3) 2_665 . . . ?
O2 Mn1 N1 C9 31.75(15) . . . . ?
O4 Mn1 N1 C9 -129.14(16) . . . . ?
O1W Mn1 N1 C9 -57.07(16) . . . . ?
N2 Mn1 N1 C9 142.24(16) . . . . ?
Na1 Mn1 N1 C9 -105.37(14) . . . . ?
O3 Mn1 N1 C6 -35.0(3) 2_665 . . . ?
O2 Mn1 N1 C6 -84.58(14) . . . . ?
O4 Mn1 N1 C6 114.53(15) . . . . ?
O1W Mn1 N1 C6 -173.40(14) . . . . ?
N2 Mn1 N1 C6 25.90(14) . . . . ?
Na1 Mn1 N1 C6 138.30(13) . . . . ?
O3 Mn1 N1 C7 -156.3(2) 2_665 . . . ?
O2 Mn1 N1 C7 154.14(18) . . . . ?
O4 Mn1 N1 C7 -6.75(15) . . . . ?
O1W Mn1 N1 C7 65.32(17) . . . . ?
N2 Mn1 N1 C7 -95.38(17) . . . . ?
Na1 Mn1 N1 C7 17.02(18) . . . . ?
C2 C1 N2 C5 -1.0(4) . . . . ?
C2 C1 N2 Mn1 -171.1(2) . . . . ?
C4 C5 N2 C1 -0.9(4) . . . . ?
C6 C5 N2 C1 175.5(2) . . . . ?
C4 C5 N2 Mn1 170.33(18) . . . . ?
C6 C5 N2 Mn1 -13.2(3) . . . . ?
O3 Mn1 N2 C1 -35.6(2) 2_665 . . . ?
O2 Mn1 N2 C1 -129.1(2) . . . . ?
O4 Mn1 N2 C1 87.4(2) . . . . ?
O1W Mn1 N2 C1 67.2(3) . . . . ?
N1 Mn1 N2 C1 162.7(2) . . . . ?
Na1 Mn1 N2 C1 52.2(2) . . . . ?
O3 Mn1 N2 C5 154.07(16) 2_665 . . . ?
O2 Mn1 N2 C5 60.58(17) . . . . ?
O4 Mn1 N2 C5 -82.92(16) . . . . ?
O1W Mn1 N2 C5 -103.2(3) . . . . ?
N1 Mn1 N2 C5 -7.70(16) . . . . ?
Na1 Mn1 N2 C5 -118.13(15) . . . . ?
O3 Mn1 O1W Na1 84.48(7) 2_665 . . . ?
O2 Mn1 O1W Na1 176.95(6) . . . . ?
O4 Mn1 O1W Na1 -39.45(6) . . . . ?
N2 Mn1 O1W Na1 -18.8(3) . . . . ?
N1 Mn1 O1W Na1 -109.24(7) . . . . ?
O3 Mn1 O1W O1 -178.41(9) 2_665 . . 6_557 ?
O2 Mn1 O1W O1 -85.94(9) . . . 6_557 ?
O4 Mn1 O1W O1 57.66(8) . . . 6_557 ?
N2 Mn1 O1W O1 78.3(2) . . . 6_557 ?
N1 Mn1 O1W O1 -12.12(10) . . . 6_557 ?
Na1 Mn1 O1W O1 97.11(9) . . . 6_557 ?
O3 Mn1 O1W O2 -31.67(10) 2_665 . . 4_667 ?
O2 Mn1 O1W O2 60.80(11) . . . 4_667 ?
O4 Mn1 O1W O2 -155.60(10) . . . 4_667 ?
N2 Mn1 O1W O2 -134.9(2) . . . 4_667 ?
N1 Mn1 O1W O2 134.61(9) . . . 4_667 ?
Na1 Mn1 O1W O2 -116.15(11) . . . 4_667 ?
O1W Na1 O1W Mn1 117.52(11) 3_565 . . . ?
O1W Na1 O1W Mn1 -117.39(11) 2_665 . . . ?
O4 Na1 O1W Mn1 22.8(2) 3_565 . . . ?
O4 Na1 O1W Mn1 37.36(6) . . . . ?
O4 Na1 O1W Mn1 -47.33(7) 2_665 . . . ?
Mn1 Na1 O1W Mn1 70.18(9) 3_565 . . . ?
Mn1 Na1 O1W Mn1 -70.06(9) 2_665 . . . ?
O1W Na1 O1W O1 9.81(13) 3_565 . . 6_557 ?
O1W Na1 O1W O1 134.90(7) 2_665 . . 6_557 ?
O4 Na1 O1W O1 -84.92(18) 3_565 . . 6_557 ?
O4 Na1 O1W O1 -70.35(8) . . . 6_557 ?
O4 Na1 O1W O1 -155.04(8) 2_665 . . 6_557 ?
Mn1 Na1 O1W O1 -37.53(11) 3_565 . . 6_557 ?
Mn1 Na1 O1W O1 -177.77(8) 2_665 . . 6_557 ?
Mn1 Na1 O1W O1 -107.71(10) . . . 6_557 ?
O1W Na1 O1W O2 -120.47(6) 3_565 . . 4_667 ?
O1W Na1 O1W O2 4.63(14) 2_665 . . 4_667 ?
O4 Na1 O1W O2 144.81(14) 3_565 . . 4_667 ?
O4 Na1 O1W O2 159.38(10) . . . 4_667 ?
O4 Na1 O1W O2 74.69(10) 2_665 . . 4_667 ?
Mn1 Na1 O1W O2 -167.80(7) 3_565 . . 4_667 ?
Mn1 Na1 O1W O2 51.95(13) 2_665 . . 4_667 ?
Mn1 Na1 O1W O2 122.02(11) . . . 4_667 ?
O1 C10 O2 Mn1 -174.2(2) . . . . ?
C9 C10 O2 Mn1 4.7(3) . . . . ?
O3 Mn1 O2 C10 174.75(19) 2_665 . . . ?
O4 Mn1 O2 C10 10.4(2) . . . . ?
O1W Mn1 O2 C10 84.07(19) . . . . ?
N2 Mn1 O2 C10 -90.78(19) . . . . ?
N1 Mn1 O2 C10 -21.05(18) . . . . ?
Na1 Mn1 O2 C10 87.43(19) . . . . ?
O4 C8 O3 Mn1 3.2(3) . . . 3_565 ?
C7 C8 O3 Mn1 -176.41(17) . . . 3_565 ?
O3 C8 O4 Mn1 175.31(18) . . . . ?
C7 C8 O4 Mn1 -5.1(3) . . . . ?
O3 C8 O4 Na1 50.3(3) . . . . ?
C7 C8 O4 Na1 -130.2(2) . . . . ?
O3 Mn1 O4 C8 174.17(17) 2_665 . . . ?
O2 Mn1 O4 C8 -24.7(2) . . . . ?
O1W Mn1 O4 C8 -103.43(18) . . . . ?
N2 Mn1 O4 C8 83.09(18) . . . . ?
N1 Mn1 O4 C8 6.67(17) . . . . ?
Na1 Mn1 O4 C8 -142.8(2) . . . . ?
O3 Mn1 O4 Na1 -43.06(10) 2_665 . . . ?
O2 Mn1 O4 Na1 118.11(11) . . . . ?
O1W Mn1 O4 Na1 39.34(7) . . . . ?
N2 Mn1 O4 Na1 -134.14(8) . . . . ?
N1 Mn1 O4 Na1 149.44(8) . . . . ?
O1W Na1 O4 C8 -16.6(2) 3_565 . . . ?
O1W Na1 O4 C8 -160.0(2) 2_665 . . . ?
O1W Na1 O4 C8 96.8(2) . . . . ?
O4 Na1 O4 C8 -89.2(2) 3_565 . . . ?
O4 Na1 O4 C8 -173.91(19) 2_665 . . . ?
Mn1 Na1 O4 C8 -52.11(18) 3_565 . . . ?
Mn1 Na1 O4 C8 -143.05(18) 2_665 . . . ?
Mn1 Na1 O4 C8 135.0(2) . . . . ?
O1W Na1 O4 Mn1 -151.60(7) 3_565 . . . ?
O1W Na1 O4 Mn1 65.03(18) 2_665 . . . ?
O1W Na1 O4 Mn1 -38.25(7) . . . . ?
O4 Na1 O4 Mn1 135.83(5) 3_565 . . . ?
O4 Na1 O4 Mn1 51.08(8) 2_665 . . . ?
Mn1 Na1 O4 Mn1 172.89(7) 3_565 . . . ?
Mn1 Na1 O4 Mn1 81.94(5) 2_665 . . . ?
