#------------------------------------------------------------------------------
#$Date: 2019-11-23 23:51:07 +0200 (Sat, 23 Nov 2019) $
#$Revision: 235657 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/21/7702151.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_7702151
loop_
_publ_author_name
'Vallejo, J.'
'Salcedo, I. R.'
'Colodrero, R. M. P.'
'Cabeza, A.'
'Switlicka, A.'
'Cano, J.'
'Viciano-Chumillas, M'
_publ_section_title
;
 Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine
 ligand: synthesis, crystal structures and magnetic and proton
 conductivity properties.
;
_journal_issue                   47
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16570
_journal_page_last               16579
_journal_paper_doi               10.1039/c7dt03474a
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C3 Mn N O7 P'
_chemical_formula_sum            'C3 Mn N O7 P'
_chemical_formula_weight         247.95
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_audit_creation_date             2017-07-20T16:44
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
;
2017-07-21 deposited with the CCDC.
2017-11-07 downloaded from the CCDC.
;
_cell_angle_alpha                90.0
_cell_angle_beta                 105.7562(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   5.60643(11)
_cell_length_b                   12.43890(22)
_cell_length_c                   5.37101(10)
_cell_measurement_temperature    298
_cell_volume                     360.489(12)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'D8 ADVANCE (Bruker AXS) diffractometer'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a~1~'
_diffrn_radiation_wavelength     0.7093
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'D8 ADVANCE (Bruker AXS) diffractometer'
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2017-07-20T16:44|MnC3H8NO7P|A.Cabeza|Discover
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        79.9901
_pd_meas_2theta_range_min        3.0001
_pd_phase_name
'from F:/temp/Estructura_Mn_vv127/Mn-VV127_best1.cif'
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        79.99471
_pd_proc_2theta_range_min        3.00471
_pd_proc_info_datetime           2017-07-20T16:44:14
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 7 with 36 terms.
 Linear interpolation
      1:    1024.05     2:    1112.08     3:    690.706     4:    499.855    
      5:    428.034     6:    432.286     7:    449.905     8:    375.082    
      9:    293.669    10:    339.486    11:    316.217    12:    252.562    
     13:    250.023    14:    268.257    15:    210.242    16:    218.380    
     17:    204.979    18:    204.607    19:    180.711    20:    181.699    
     21:    175.193    22:    170.255    23:    180.455    24:    165.125    
     25:    146.269    26:    142.560    27:    133.781    28:    124.007    
     29:    132.399    30:    114.907    31:    115.127    32:    112.220    
     33:    106.480    34:    101.618    35:    99.6381    36:    96.5760    
;
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_pref_orient_corr
;   March-Dollase
 AXIS  1 Ratio=   1.01400  h= 0.000  k= 1.000  l= 0.000
 Prefered orientation correction range: Min=   0.95914, Max=   1.02108
;
_pd_proc_ls_profile_function
;
 CW Profile function number 4 with  21 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Microstrain broadening by P.W. Stephens,  (1999). J. Appl. Cryst.,32,281-289.
 #1(GU)   =    0.000 #2(GV)   =    0.000 #3(GW)   =    1.956
 #4(GP)   =    0.000 #5(LX)   =    0.000 #6(ptec) =     0.00
 #7(trns) =     0.00 #8(shft) =   0.0000 #9(sfec) =     0.00
 #10(S/L) =   0.0143 #11(H/L) =   0.0132 #12(eta) =   0.9000
 #13(S400 ) =  9.8E-01 #14(S040 ) =  3.9E-02 #15(S004 ) =  1.7E+00
 #16(S220 ) =  1.4E-01 #17(S202 ) =  8.0E-01 #18(S022 ) =  2.4E-01
 #19(S301 ) =  2.4E-01 #20(S103 ) =  4.5E-01 #21(S121 ) =  1.5E-01
 Peak tails are ignored  where the intensity is below 0.0050 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0514
_pd_proc_ls_prof_wR_expected     0.0396
_pd_proc_ls_prof_wR_factor       0.0654
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.74
_refine_ls_matrix_type           full
_refine_ls_number_parameters     92
_refine_ls_number_restraints     22
_refine_ls_R_Fsqd_factor         0.04086
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        0.743
_reflns_d_resolution_low         6.219
_reflns_limit_h_max              7
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              6
_reflns_limit_l_min              -7
_reflns_number_total             964
_cod_data_source_file            c7dt03474a2.cif
_cod_data_source_block           MnC3H8NO7P_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (557 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (126 times).

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        360.489(15)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7702151
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +x,+y,+z
2 -x,+y+1/2,-z
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Mn Mn1 0.45615(26) 1.05502(21) 0.9676 1.0 Uiso 0.0143(6) 2
P P1 0.0680(5) 1.00456(26) 0.3796(6) 1.0 Uiso 0.0173(10) 2
O O1 0.2904(9) 1.0041(5) 1.2651(11) 1.0 Uiso 0.0106(7) 2
O O2 0.1199(9) 1.0553(5) 0.6474(9) 1.0 Uiso 0.0106(7) 2
O O3 -0.1625(8) 1.0590(4) 0.2047(10) 1.0 Uiso 0.0106(7) 2
O O4 0.0096(12) 0.87717(34) 0.4077(11) 1.0 Uiso 0.0106(7) 2
O O5 -0.3705(11) 0.7151(4) 0.9144(13) 1.0 Uiso 0.0106(7) 2
O O6 -0.5054(13) 0.8796(4) 0.8764(13) 1.0 Uiso 0.0106(7) 2
C C1 -0.1890(13) 0.8324(6) 0.5032(13) 1.0 Uiso 0.0106(7) 2
C C2 -0.1196(13) 0.8490(6) 0.7931(13) 1.0 Uiso 0.0106(7) 2
C C3 -0.3421(13) 0.8127(5) 0.8872(17) 1.0 Uiso 0.0106(7) 2
N N1 0.0934(12) 0.7781(6) 0.9251(12) 1.0 Uiso 0.0106(7) 2
O Ow 0.6542(10) 1.1217(4) 0.6645(12) 1.0 Uiso 0.0106(7) 2
loop_
_atom_type_symbol
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Mn 2.0 0.000 0.000 11.2819 5.34090 7.35730 0.34320 3.01930 17.8674 2.24410
83.7543 1.08960 International_Tables_Vol_C
P 2.0 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080
68.1645 1.11490 International_Tables_Vol_C
O 14.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700
32.9089 0.25080 International_Tables_Vol_C
N 2.0 0.000 0.000 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630
0.58260 -11.529 International_Tables_Vol_C
C 6.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500
51.6512 0.21560 International_Tables_Vol_C
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
P1 Mn1 P1 101.63(8) 1_555 1_556 n
P1 Mn1 P1 143.99(10) 1_555 1_656 n
P1 Mn1 O1 109.99(19) 1_555 1_555 n
P1 Mn1 O2 20.18(13) 1_555 1_555 n
P1 Mn1 O3 146.68(14) 1_555 1_656 n
P1 Mn1 O5 107.75(18) 1_555 2_557 n
P1 Mn1 O6 72.09(18) 1_555 1_655 n
P1 Mn1 C3 82.18(16) 1_555 1_655 n
P1 Mn1 C3 106.05(16) 1_555 2_557 n
P1 Mn1 Ow 73.97(14) 1_555 1_555 n
P1 Mn1 P1 103.23(8) 1_556 1_656 n
P1 Mn1 O1 12.72(16) 1_556 1_555 n
P1 Mn1 O2 86.95(14) 1_556 1_555 n
P1 Mn1 O3 108.10(15) 1_556 1_656 n
P1 Mn1 O5 76.12(16) 1_556 2_557 n
P1 Mn1 O6 94.30(20) 1_556 1_655 n
P1 Mn1 C3 102.14(12) 1_556 1_655 n
P1 Mn1 C3 80.71(13) 1_556 2_557 n
P1 Mn1 Ow 167.15(17) 1_556 1_555 n
P1 Mn1 O1 91.36(15) 1_656 1_555 n
P1 Mn1 O2 164.11(17) 1_656 1_555 n
P1 Mn1 O3 11.66(16) 1_656 1_656 n
P1 Mn1 O5 103.23(17) 1_656 2_557 n
P1 Mn1 O6 80.43(19) 1_656 1_655 n
P1 Mn1 C3 67.44(16) 1_656 1_655 n
P1 Mn1 C3 103.34(15) 1_656 2_557 n
P1 Mn1 Ow 86.38(14) 1_656 1_555 n
O1 Mn1 O2 97.53(21) 1_555 1_555 n
O1 Mn1 O3 97.26(21) 1_555 1_656 n
O1 Mn1 O5 83.08(21) 1_555 2_557 n
O1 Mn1 O6 87.85(27) 1_555 1_655 n
O1 Mn1 C3 93.49(21) 1_555 1_655 n
O1 Mn1 C3 87.77(21) 1_555 2_557 n
O1 Mn1 Ow 175.40(29) 1_555 1_555 n
O2 Mn1 O3 164.89(20) 1_555 1_656 n
O2 Mn1 O5 90.94(23) 1_555 2_557 n
O2 Mn1 O6 86.75(26) 1_555 1_655 n
O2 Mn1 C3 98.77(23) 1_555 1_655 n
O2 Mn1 C3 90.19(23) 1_555 2_557 n
O2 Mn1 Ow 85.60(19) 1_555 1_555 n
O3 Mn1 O5 93.90(23) 1_656 2_557 n
O3 Mn1 O6 90.72(24) 1_656 1_655 n
O3 Mn1 C3 77.24(21) 1_656 1_655 n
O3 Mn1 C3 93.47(21) 1_656 2_557 n
O3 Mn1 Ow 79.83(18) 1_656 1_555 n
O5 Mn1 O6 170.27(28) 2_557 1_655 n
O5 Mn1 C3 170.07(25) 2_557 1_655 n
O5 Mn1 C3 4.70(22) 2_557 2_557 n
O5 Mn1 Ow 93.53(26) 2_557 1_555 n
O6 Mn1 C3 14.06(20) 1_655 1_655 n
O6 Mn1 C3 174.29(18) 1_655 2_557 n
O6 Mn1 Ow 95.71(23) 1_655 1_555 n
C3 Mn1 C3 170.70(6) 1_655 2_557 n
C3 Mn1 Ow 89.34(20) 1_655 1_555 n
C3 Mn1 Ow 88.85(20) 2_557 1_555 n
Mn1 P1 Mn1 103.23(8) 1_454 1_554 n
Mn1 P1 Mn1 143.99(10) 1_454 1_555 n
Mn1 P1 O1 119.85(27) 1_454 1_554 n
Mn1 P1 O2 114.46(23) 1_454 1_555 n
Mn1 P1 O3 16.63(24) 1_454 1_555 n
Mn1 P1 O4 92.55(25) 1_454 1_555 n
Mn1 P1 O6 154.67(15) 1_454 1_655 n
Mn1 P1 C1 79.08(17) 1_454 1_555 n
Mn1 P1 C2 95.21(13) 1_454 1_555 n
Mn1 P1 Ow 63.44(10) 1_454 1_455 n
Mn1 P1 Ow 144.34(12) 1_454 1_555 n
Mn1 P1 Mn1 101.63(8) 1_554 1_555 n
Mn1 P1 O1 18.00(23) 1_554 1_554 n
Mn1 P1 O2 121.46(25) 1_554 1_555 n
Mn1 P1 O3 95.56(26) 1_554 1_555 n
Mn1 P1 O4 113.62(22) 1_554 1_555 n
Mn1 P1 O6 98.55(15) 1_554 1_655 n
Mn1 P1 C1 137.24(19) 1_554 1_555 n
Mn1 P1 C2 151.24(16) 1_554 1_555 n
Mn1 P1 Ow 143.59(13) 1_554 1_455 n
Mn1 P1 Ow 62.82(12) 1_554 1_555 n
Mn1 P1 O1 89.31(25) 1_555 1_554 n
Mn1 P1 O2 29.55(21) 1_555 1_555 n
Mn1 P1 O3 135.53(27) 1_555 1_555 n
Mn1 P1 O4 100.88(26) 1_555 1_555 n
Mn1 P1 O6 38.76(10) 1_555 1_655 n
Mn1 P1 C1 99.52(16) 1_555 1_555 n
Mn1 P1 C2 73.95(13) 1_555 1_555 n
Mn1 P1 Ow 81.13(12) 1_555 1_455 n
Mn1 P1 Ow 39.76(11) 1_555 1_555 n
O1 P1 O2 114.36(32) 1_554 1_555 n
O1 P1 O3 113.4(4) 1_554 1_555 n
O1 P1 O4 103.8(4) 1_554 1_555 n
O1 P1 O6 80.74(27) 1_554 1_655 n
O1 P1 C1 128.90(35) 1_554 1_555 n
O1 P1 C2 134.84(30) 1_554 1_555 n
O1 P1 Ow 154.52(34) 1_554 1_455 n
O1 P1 Ow 54.14(24) 1_554 1_555 n
O2 P1 O3 107.96(34) 1_555 1_555 n
O2 P1 O4 107.8(4) 1_555 1_555 n
O2 P1 O6 62.61(28) 1_555 1_655 n
O2 P1 C1 94.16(29) 1_555 1_555 n
O2 P1 C2 67.95(29) 1_555 1_555 n
O2 P1 Ow 51.86(22) 1_555 1_455 n
O2 P1 Ow 60.33(23) 1_555 1_555 n
O3 P1 O4 109.2(4) 1_555 1_555 n
O3 P1 O6 165.76(31) 1_555 1_655 n
O3 P1 C1 94.71(31) 1_555 1_555 n
O3 P1 C2 107.44(28) 1_555 1_555 n
O3 P1 Ow 61.74(25) 1_555 1_455 n
O3 P1 Ow 127.72(28) 1_555 1_555 n
O4 P1 O6 66.67(26) 1_555 1_655 n
O4 P1 C1 25.10(23) 1_555 1_555 n
O4 P1 C2 42.76(22) 1_555 1_555 n
O4 P1 Ow 101.18(24) 1_555 1_455 n
O4 P1 Ow 123.04(27) 1_555 1_555 n
O6 P1 C1 76.17(19) 1_655 1_555 n
O6 P1 C2 59.82(16) 1_655 1_555 n
O6 P1 Ow 104.96(18) 1_655 1_455 n
O6 P1 Ow 58.76(15) 1_655 1_555 n
C1 P1 C2 26.80(12) 1_555 1_555 n
C1 P1 Ow 76.23(21) 1_555 1_455 n
C1 P1 Ow 134.35(19) 1_555 1_555 n
C2 P1 Ow 64.81(16) 1_555 1_455 n
C2 P1 Ow 112.07(16) 1_555 1_555 n
Ow P1 Ow 107.05(18) 1_455 1_555 n
Mn1 O1 P1 149.3(4) 1_555 1_556 n
Mn1 O1 O2 148.25(34) 1_555 1_556 n
Mn1 O1 O3 116.12(28) 1_555 1_556 n
Mn1 O1 O4 148.36(34) 1_555 1_556 n
Mn1 O1 O5 48.93(16) 1_555 2_557 n
Mn1 O1 O6 47.54(16) 1_555 1_655 n
Mn1 O1 Ow 92.39(24) 1_555 1_556 n
P1 O1 O2 32.72(18) 1_556 1_556 n
P1 O1 O3 33.29(20) 1_556 1_556 n
P1 O1 O4 39.52(21) 1_556 1_556 n
P1 O1 O5 110.46(34) 1_556 2_557 n
P1 O1 O6 140.5(4) 1_556 1_655 n
P1 O1 Ow 100.68(29) 1_556 1_556 n
O2 O1 O3 57.62(17) 1_556 1_556 n
O2 O1 O4 60.55(19) 1_556 1_556 n
O2 O1 O5 99.66(28) 1_556 2_557 n
O2 O1 O6 163.73(30) 1_556 1_655 n
O2 O1 Ow 68.03(21) 1_556 1_556 n
O3 O1 O4 61.39(21) 1_556 1_556 n
O3 O1 O5 87.35(26) 1_556 2_557 n
O3 O1 O6 126.13(28) 1_556 1_655 n
O3 O1 Ow 115.45(23) 1_556 1_556 n
O4 O1 O5 148.33(28) 1_556 2_557 n
O4 O1 O6 105.89(27) 1_556 1_655 n
O4 O1 Ow 117.72(25) 1_556 1_556 n
O5 O1 O6 96.41(23) 2_557 1_655 n
O5 O1 Ow 69.35(20) 2_557 1_556 n
O6 O1 Ow 116.02(25) 1_655 1_556 n
Mn1 O2 P1 130.26(32) 1_555 1_555 n
Mn1 O2 O1 101.56(24) 1_555 1_554 n
Mn1 O2 O3 161.65(27) 1_555 1_555 n
Mn1 O2 O4 115.84(30) 1_555 1_555 n
Mn1 O2 O5 44.56(14) 1_555 2_557 n
Mn1 O2 O6 47.71(17) 1_555 1_655 n
Mn1 O2 C2 98.11(26) 1_555 1_555 n
Mn1 O2 Ow 126.64(22) 1_555 1_455 n
Mn1 O2 Ow 49.60(15) 1_555 1_555 n
P1 O2 O1 32.92(17) 1_555 1_554 n
P1 O2 O3 36.14(18) 1_555 1_555 n
P1 O2 O4 37.53(21) 1_555 1_555 n
P1 O2 O5 155.5(4) 1_555 2_557 n
P1 O2 O6 91.03(31) 1_555 1_655 n
P1 O2 C2 84.87(30) 1_555 1_555 n
P1 O2 Ow 102.42(28) 1_555 1_455 n
P1 O2 Ow 94.24(25) 1_555 1_555 n
O1 O2 O3 61.07(19) 1_554 1_555 n
O1 O2 O4 58.23(20) 1_554 1_555 n
O1 O2 O5 125.00(28) 1_554 2_557 n
O1 O2 O6 77.27(25) 1_554 1_655 n
O1 O2 C2 106.12(27) 1_554 1_555 n
O1 O2 Ow 131.34(27) 1_554 1_455 n
O1 O2 Ow 61.39(19) 1_554 1_555 n
O3 O2 O4 61.79(19) 1_555 1_555 n
O3 O2 O5 139.05(32) 1_555 2_557 n
O3 O2 O6 126.31(25) 1_555 1_655 n
O3 O2 C2 92.89(23) 1_555 1_555 n
O3 O2 Ow 70.28(21) 1_555 1_455 n
O3 O2 Ow 112.73(24) 1_555 1_555 n
O4 O2 O5 159.13(30) 1_555 2_557 n
O4 O2 O6 68.13(22) 1_555 1_655 n
O4 O2 C2 49.10(18) 1_555 1_555 n
O4 O2 Ow 100.05(26) 1_555 1_455 n
O4 O2 Ow 110.35(23) 1_555 1_555 n
O5 O2 O6 91.86(21) 2_557 1_655 n
O5 O2 C2 118.48(22) 2_557 1_555 n
O5 O2 Ow 91.18(23) 2_557 1_455 n
O5 O2 Ow 64.57(20) 2_557 1_555 n
O6 O2 C2 66.57(21) 1_655 1_555 n
O6 O2 Ow 138.97(30) 1_655 1_455 n
O6 O2 Ow 67.84(20) 1_655 1_555 n
C2 O2 Ow 76.16(23) 1_555 1_455 n
C2 O2 Ow 134.37(28) 1_555 1_555 n
Ow O2 Ow 146.9(4) 1_455 1_555 n
Mn1 O3 P1 151.7(4) 1_454 1_555 n
Mn1 O3 O1 148.40(28) 1_454 1_554 n
Mn1 O3 O2 146.55(27) 1_454 1_555 n
Mn1 O3 O4 115.02(28) 1_454 1_555 n
Mn1 O3 O5 43.17(13) 1_454 2_456 n
Mn1 O3 O6 45.75(17) 1_454 1_554 n
Mn1 O3 N1 93.20(23) 1_454 2_556 n
Mn1 O3 Ow 52.87(15) 1_454 1_454 n
Mn1 O3 Ow 89.19(19) 1_454 1_455 n
P1 O3 O1 33.27(19) 1_555 1_554 n
P1 O3 O2 35.90(19) 1_555 1_555 n
P1 O3 O4 36.70(20) 1_555 1_555 n
P1 O3 O5 154.6(4) 1_555 2_456 n
P1 O3 O6 108.32(32) 1_555 1_554 n
P1 O3 N1 114.98(34) 1_555 2_556 n
P1 O3 Ow 137.7(4) 1_555 1_454 n
P1 O3 Ow 91.73(27) 1_555 1_455 n
O1 O3 O2 61.31(17) 1_554 1_555 n
O1 O3 O4 57.95(19) 1_554 1_555 n
O1 O3 O5 157.05(30) 1_554 2_456 n
O1 O3 O6 108.34(26) 1_554 1_554 n
O1 O3 N1 95.15(28) 1_554 2_556 n
O1 O3 Ow 105.51(26) 1_554 1_454 n
O1 O3 Ow 120.66(22) 1_554 1_455 n
O2 O3 O4 60.61(20) 1_555 1_555 n
O2 O3 O5 118.79(26) 1_555 2_456 n
O2 O3 O6 131.15(26) 1_555 1_554 n
O2 O3 N1 99.11(29) 1_555 2_556 n
O2 O3 Ow 157.59(30) 1_555 1_454 n
O2 O3 Ow 59.36(17) 1_555 1_455 n
O4 O3 O5 144.30(27) 1_555 2_456 n
O4 O3 O6 73.58(22) 1_555 1_554 n
O4 O3 N1 151.22(28) 1_555 2_556 n
O4 O3 Ow 130.27(29) 1_555 1_454 n
O4 O3 Ow 92.96(23) 1_555 1_455 n
O5 O3 O6 88.61(16) 2_456 1_554 n
O5 O3 N1 61.90(19) 2_456 2_556 n
O5 O3 Ow 65.63(19) 2_456 1_454 n
O5 O3 Ow 64.10(18) 2_456 1_455 n
O6 O3 N1 129.73(26) 1_554 2_556 n
O6 O3 Ow 68.61(19) 1_554 1_454 n
O6 O3 Ow 110.38(26) 1_554 1_455 n
N1 O3 Ow 62.42(21) 2_556 1_454 n
N1 O3 Ow 92.97(26) 2_556 1_455 n
Ow O3 Ow 129.73(25) 1_454 1_455 n
P1 O4 O1 36.67(18) 1_555 1_554 n
P1 O4 O2 34.65(18) 1_555 1_555 n
P1 O4 O3 34.13(18) 1_555 1_555 n
P1 O4 O6 85.04(26) 1_555 1_655 n
P1 O4 C1 126.5(5) 1_555 1_555 n
P1 O4 C2 109.68(31) 1_555 1_555 n
P1 O4 C3 105.42(32) 1_555 1_554 n
P1 O4 N1 103.57(28) 1_555 1_554 n
P1 O4 N1 120.40(32) 1_555 1_555 n
O1 O4 O2 61.22(18) 1_554 1_555 n
O1 O4 O3 60.66(19) 1_554 1_555 n
O1 O4 O6 76.13(25) 1_554 1_655 n
O1 O4 C1 163.2(5) 1_554 1_555 n
O1 O4 C2 136.22(31) 1_554 1_555 n
O1 O4 C3 100.93(26) 1_554 1_554 n
O1 O4 N1 74.70(23) 1_554 1_554 n
O1 O4 N1 126.86(32) 1_554 1_555 n
O2 O4 O3 57.60(18) 1_555 1_555 n
O2 O4 O6 63.40(19) 1_555 1_655 n
O2 O4 C1 104.9(4) 1_555 1_555 n
O2 O4 C2 77.29(25) 1_555 1_555 n
O2 O4 C3 134.15(27) 1_555 1_554 n
O2 O4 N1 135.57(26) 1_555 1_554 n
O2 O4 N1 86.14(26) 1_555 1_555 n
O3 O4 O6 117.99(21) 1_555 1_655 n
O3 O4 C1 104.5(5) 1_555 1_555 n
O3 O4 C2 109.09(29) 1_555 1_555 n
O3 O4 C3 76.68(25) 1_555 1_554 n
O3 O4 N1 97.02(27) 1_555 1_554 n
O3 O4 N1 135.03(27) 1_555 1_555 n
O6 O4 C1 107.3(4) 1_655 1_555 n
O6 O4 C2 73.16(25) 1_655 1_555 n
O6 O4 C3 158.61(28) 1_655 1_554 n
O6 O4 N1 112.73(27) 1_655 1_554 n
O6 O4 N1 51.23(19) 1_655 1_555 n
C1 O4 C2 36.98(27) 1_555 1_555 n
C1 O4 C3 81.8(4) 1_555 1_554 n
C1 O4 N1 117.3(4) 1_555 1_554 n
C1 O4 N1 56.75(34) 1_555 1_555 n
C2 O4 C3 118.69(31) 1_555 1_554 n
C2 O4 N1 146.67(31) 1_555 1_554 n
C2 O4 N1 30.24(16) 1_555 1_555 n
C3 O4 N1 47.18(16) 1_554 1_554 n
C3 O4 N1 130.39(23) 1_554 1_555 n
N1 O4 N1 127.91(31) 1_554 1_555 n
Mn1 O5 O1 48.00(14) 2_547 2_547 n
Mn1 O5 O2 44.50(17) 2_547 2_547 n
Mn1 O5 O3 42.93(16) 2_547 2_446 n
Mn1 O5 O6 142.1(4) 2_547 1_555 n
Mn1 O5 C1 142.33(29) 2_547 1_555 n
Mn1 O5 C2 155.54(33) 2_547 1_555 n
Mn1 O5 C3 167.0(6) 2_547 1_555 n
Mn1 O5 N1 86.28(25) 2_547 1_455 n
Mn1 O5 N1 123.04(27) 2_547 1_555 n
O1 O5 O2 65.82(21) 2_547 2_547 n
O1 O5 O3 64.56(19) 2_547 2_446 n
O1 O5 O6 155.7(4) 2_547 1_555 n
O1 O5 C1 94.64(25) 2_547 1_555 n
O1 O5 C2 112.90(28) 2_547 1_555 n
O1 O5 C3 145.0(6) 2_547 1_555 n
O1 O5 N1 118.34(27) 2_547 1_455 n
O1 O5 N1 92.01(23) 2_547 1_555 n
O2 O5 O3 86.58(23) 2_547 2_446 n
O2 O5 O6 138.4(4) 2_547 1_555 n
O2 O5 C1 133.18(27) 2_547 1_555 n
O2 O5 C2 118.35(30) 2_547 1_555 n
O2 O5 C3 132.1(6) 2_547 1_555 n
O2 O5 N1 112.72(26) 2_547 1_455 n
O2 O5 N1 86.27(23) 2_547 1_555 n
O3 O5 O6 108.02(29) 2_446 1_555 n
O3 O5 C1 124.45(24) 2_446 1_555 n
O3 O5 C2 152.42(31) 2_446 1_555 n
O3 O5 C3 134.4(5) 2_446 1_555 n
O3 O5 N1 54.07(19) 2_446 1_455 n
O3 O5 N1 156.37(28) 2_446 1_555 n
O6 O5 C1 69.91(33) 1_555 1_555 n
O6 O5 C2 62.09(33) 1_555 1_555 n
O6 O5 C3 28.09(31) 1_555 1_555 n
O6 O5 N1 56.81(26) 1_555 1_455 n
O6 O5 N1 92.12(35) 1_555 1_555 n
C1 O5 C2 29.27(16) 1_555 1_555 n
C1 O5 C3 50.6(5) 1_555 1_555 n
C1 O5 N1 113.96(28) 1_555 1_455 n
C1 O5 N1 50.70(20) 1_555 1_555 n
C2 O5 C3 34.7(4) 1_555 1_555 n
C2 O5 N1 118.18(34) 1_555 1_455 n
C2 O5 N1 33.53(16) 1_555 1_555 n
C3 O5 N1 84.9(4) 1_555 1_455 n
C3 O5 N1 64.1(4) 1_555 1_555 n
N1 O5 N1 148.5(4) 1_455 1_555 n
Mn1 O6 P1 69.15(16) 1_455 1_455 n
Mn1 O6 O1 44.61(16) 1_455 1_455 n
Mn1 O6 O2 45.54(15) 1_455 1_455 n
Mn1 O6 O3 43.52(14) 1_455 1_556 n
Mn1 O6 O4 94.01(23) 1_455 1_455 n
Mn1 O6 O5 160.2(4) 1_455 1_555 n
Mn1 O6 C1 115.60(30) 1_455 1_555 n
Mn1 O6 C2 110.1(4) 1_455 1_555 n
Mn1 O6 C3 139.4(6) 1_455 1_555 n
Mn1 O6 N1 107.75(29) 1_455 1_455 n
P1 O6 O1 89.46(20) 1_455 1_455 n
P1 O6 O2 26.36(9) 1_455 1_455 n
P1 O6 O3 107.73(18) 1_455 1_556 n
P1 O6 O4 28.29(10) 1_455 1_455 n
P1 O6 O5 130.60(33) 1_455 1_555 n
P1 O6 C1 89.05(25) 1_455 1_555 n
P1 O6 C2 114.04(31) 1_455 1_555 n
P1 O6 C3 134.2(6) 1_455 1_555 n
P1 O6 N1 82.05(23) 1_455 1_455 n
O1 O6 O2 64.42(18) 1_455 1_455 n
O1 O6 O3 62.92(19) 1_455 1_556 n
O1 O6 O4 98.50(25) 1_455 1_455 n
O1 O6 O5 126.7(4) 1_455 1_555 n
O1 O6 C1 158.60(29) 1_455 1_555 n
O1 O6 C2 138.09(35) 1_455 1_555 n
O1 O6 C3 136.3(6) 1_455 1_555 n
O1 O6 N1 71.90(23) 1_455 1_455 n
O2 O6 O3 88.12(19) 1_455 1_556 n
O2 O6 O4 48.47(15) 1_455 1_455 n
O2 O6 O5 153.80(34) 1_455 1_555 n
O2 O6 C1 109.30(30) 1_455 1_555 n
O2 O6 C2 127.37(35) 1_455 1_555 n
O2 O6 C3 158.2(6) 1_455 1_555 n
O2 O6 N1 82.59(25) 1_455 1_455 n
O3 O6 O4 135.51(23) 1_556 1_455 n
O3 O6 O5 118.05(33) 1_556 1_555 n
O3 O6 C1 97.34(25) 1_556 1_555 n
O3 O6 C2 76.63(28) 1_556 1_555 n
O3 O6 C3 96.9(5) 1_556 1_555 n
O3 O6 N1 133.31(30) 1_556 1_455 n
O4 O6 O5 105.53(29) 1_455 1_555 n
O4 O6 C1 90.16(24) 1_455 1_555 n
O4 O6 C2 118.84(34) 1_455 1_555 n
O4 O6 C3 120.0(6) 1_455 1_555 n
O4 O6 N1 60.37(22) 1_455 1_455 n
O5 O6 C1 68.48(32) 1_555 1_555 n
O5 O6 C2 63.34(34) 1_555 1_555 n
O5 O6 C3 28.36(32) 1_555 1_555 n
O5 O6 N1 79.93(30) 1_555 1_455 n
C1 O6 C2 28.67(17) 1_555 1_555 n
C1 O6 C3 49.1(5) 1_555 1_555 n
C1 O6 N1 128.93(29) 1_555 1_455 n
C2 O6 C3 35.7(4) 1_555 1_555 n
C2 O6 N1 142.0(4) 1_555 1_455 n
C3 O6 N1 108.3(5) 1_555 1_455 n
P1 C1 O4 28.39(28) 1_555 1_555 n
P1 C1 O5 147.73(28) 1_555 1_555 n
P1 C1 O6 116.10(31) 1_555 1_555 n
P1 C1 C2 97.8(4) 1_555 1_555 n
P1 C1 C3 79.72(20) 1_555 1_554 n
P1 C1 C3 127.21(34) 1_555 1_555 n
P1 C1 N1 100.69(28) 1_555 1_555 n
O4 C1 O5 151.3(5) 1_555 1_555 n
O4 C1 O6 142.0(5) 1_555 1_555 n
O4 C1 C2 107.6(5) 1_555 1_555 n
O4 C1 C3 71.38(34) 1_555 1_554 n
O4 C1 C3 144.1(5) 1_555 1_555 n
O4 C1 N1 93.8(4) 1_555 1_555 n
O5 C1 O6 41.61(14) 1_555 1_555 n
O5 C1 C2 50.36(33) 1_555 1_555 n
O5 C1 C3 131.77(28) 1_555 1_554 n
O5 C1 C3 22.97(17) 1_555 1_555 n
O5 C1 N1 57.50(24) 1_555 1_555 n
O6 C1 C2 48.35(31) 1_555 1_555 n
O6 C1 C3 130.55(32) 1_555 1_554 n
O6 C1 C3 22.25(17) 1_555 1_555 n
O6 C1 N1 78.14(25) 1_555 1_555 n
C2 C1 C3 176.5(6) 1_555 1_554 n
C2 C1 C3 36.79(28) 1_555 1_555 n
C2 C1 N1 34.39(30) 1_555 1_555 n
C3 C1 C3 143.8(4) 1_554 1_555 n
C3 C1 N1 148.3(4) 1_554 1_555 n
C3 C1 N1 59.11(24) 1_555 1_555 n
P1 C2 O2 27.18(9) 1_555 1_555 n
P1 C2 O4 27.56(13) 1_555 1_555 n
P1 C2 O5 155.11(32) 1_555 1_555 n
P1 C2 O6 120.40(32) 1_555 1_555 n
P1 C2 C1 55.37(32) 1_555 1_555 n
P1 C2 C3 145.5(5) 1_555 1_555 n
P1 C2 N1 107.6(4) 1_555 1_555 n
O2 C2 O4 53.61(17) 1_555 1_555 n
O2 C2 O5 168.0(4) 1_555 1_555 n
O2 C2 O6 113.4(4) 1_555 1_555 n
O2 C2 C1 82.0(4) 1_555 1_555 n
O2 C2 C3 140.8(5) 1_555 1_555 n
O2 C2 N1 105.2(4) 1_555 1_555 n
O4 C2 O5 132.7(4) 1_555 1_555 n
O4 C2 O6 130.4(4) 1_555 1_555 n
O4 C2 C1 35.41(26) 1_555 1_555 n
O4 C2 C3 142.2(5) 1_555 1_555 n
O4 C2 N1 96.1(4) 1_555 1_555 n
O5 C2 O6 54.57(23) 1_555 1_555 n
O5 C2 C1 100.4(4) 1_555 1_555 n
O5 C2 C3 27.31(31) 1_555 1_555 n
O5 C2 N1 85.0(4) 1_555 1_555 n
O6 C2 C1 103.0(4) 1_555 1_555 n
O6 C2 C3 27.78(30) 1_555 1_555 n
O6 C2 N1 131.3(5) 1_555 1_555 n
C1 C2 C3 107.1(5) 1_555 1_555 n
C1 C2 N1 110.8(6) 1_555 1_555 n
C3 C2 N1 106.6(5) 1_555 1_555 n
Mn1 C3 Mn1 137.82(19) 1_455 2_547 n
Mn1 C3 O4 78.39(20) 1_455 1_556 n
Mn1 C3 O5 145.4(5) 1_455 1_555 n
Mn1 C3 O6 26.6(4) 1_455 1_555 n
Mn1 C3 C1 103.30(31) 1_455 1_555 n
Mn1 C3 C1 78.40(23) 1_455 1_556 n
Mn1 C3 C2 96.5(4) 1_455 1_555 n
Mn1 C3 N1 121.60(32) 1_455 1_555 n
Mn1 C3 O4 98.77(23) 2_547 1_556 n
Mn1 C3 O5 8.3(4) 2_547 1_555 n
Mn1 C3 O6 117.8(5) 2_547 1_555 n
Mn1 C3 C1 114.70(31) 2_547 1_555 n
Mn1 C3 C1 81.33(21) 2_547 1_556 n
Mn1 C3 C2 125.0(4) 2_547 1_555 n
Mn1 C3 N1 93.52(26) 2_547 1_555 n
O4 C3 O5 102.8(6) 1_556 1_555 n
O4 C3 O6 98.8(6) 1_556 1_555 n
O4 C3 C1 117.17(32) 1_556 1_555 n
O4 C3 C1 26.84(12) 1_556 1_556 n
O4 C3 C2 81.0(4) 1_556 1_555 n
O4 C3 N1 65.58(29) 1_556 1_555 n
O5 C3 O6 123.5(6) 1_555 1_555 n
O5 C3 C1 106.4(6) 1_555 1_555 n
O5 C3 C1 87.7(6) 1_555 1_556 n
O5 C3 C2 118.0(7) 1_555 1_555 n
O5 C3 N1 88.6(5) 1_555 1_555 n
O6 C3 C1 108.6(6) 1_555 1_555 n
O6 C3 C1 89.1(6) 1_555 1_556 n
O6 C3 C2 116.5(7) 1_555 1_555 n
O6 C3 N1 147.4(6) 1_555 1_555 n
C1 C3 C1 143.8(4) 1_555 1_556 n
C1 C3 C2 36.15(28) 1_555 1_555 n
C1 C3 N1 61.01(23) 1_555 1_555 n
C1 C3 C2 107.7(5) 1_556 1_555 n
C1 C3 N1 86.88(35) 1_556 1_555 n
C2 C3 N1 36.19(27) 1_555 1_555 n
O3 N1 O4 99.50(25) 2_546 1_555 n
O3 N1 O4 131.27(30) 2_546 1_556 n
O3 N1 O5 84.93(25) 2_546 1_555 n
O3 N1 O5 64.03(20) 2_546 1_655 n
O3 N1 O6 104.74(26) 2_546 1_655 n
O3 N1 C1 97.56(33) 2_546 1_555 n
O3 N1 C2 126.0(5) 2_546 1_555 n
O3 N1 C3 110.27(33) 2_546 1_555 n
O3 N1 Ow 59.50(21) 2_546 2_647 n
O4 N1 O4 127.91(31) 1_555 1_556 n
O4 N1 O5 101.21(29) 1_555 1_555 n
O4 N1 O5 89.75(23) 1_555 1_655 n
O4 N1 O6 68.41(23) 1_555 1_655 n
O4 N1 C1 29.44(15) 1_555 1_555 n
O4 N1 C2 53.68(32) 1_555 1_555 n
O4 N1 C3 87.02(28) 1_555 1_555 n
O4 N1 Ow 152.31(29) 1_555 2_647 n
O4 N1 O5 76.31(21) 1_556 1_555 n
O4 N1 O5 119.56(29) 1_556 1_655 n
O4 N1 O6 102.96(29) 1_556 1_655 n
O4 N1 C1 117.63(33) 1_556 1_555 n
O4 N1 C2 82.9(4) 1_556 1_555 n
O4 N1 C3 67.24(30) 1_556 1_555 n
O4 N1 Ow 77.63(22) 1_556 2_647 n
O5 N1 O5 148.5(4) 1_555 1_655 n
O5 N1 O6 166.6(4) 1_555 1_655 n
O5 N1 C1 71.79(27) 1_555 1_555 n
O5 N1 C2 61.45(34) 1_555 1_555 n
O5 N1 C3 27.26(14) 1_555 1_555 n
O5 N1 Ow 94.98(25) 1_555 2_647 n
O5 N1 O6 43.25(14) 1_655 1_655 n
O5 N1 C1 115.51(29) 1_655 1_555 n
O5 N1 C2 141.9(4) 1_655 1_555 n
O5 N1 C3 172.9(4) 1_655 1_555 n
O5 N1 Ow 65.48(22) 1_655 2_647 n
O6 N1 C1 97.38(29) 1_655 1_555 n
O6 N1 C2 105.1(4) 1_655 1_555 n
O6 N1 C3 140.0(4) 1_655 1_555 n
O6 N1 Ow 97.94(26) 1_655 2_647 n
C1 N1 C2 34.76(29) 1_555 1_555 n
C1 N1 C3 59.88(24) 1_555 1_555 n
C1 N1 Ow 155.1(4) 1_555 2_647 n
C2 N1 C3 37.24(27) 1_555 1_555 n
C2 N1 Ow 152.6(4) 1_555 2_647 n
C3 N1 Ow 116.08(30) 1_555 2_647 n
Mn1 Ow P1 66.27(14) 1_555 1_555 n
Mn1 Ow P1 131.39(23) 1_555 1_655 n
Mn1 Ow O1 88.00(18) 1_555 1_554 n
Mn1 Ow O2 44.79(14) 1_555 1_555 n
Mn1 Ow O2 122.99(26) 1_555 1_655 n
Mn1 Ow O3 143.33(29) 1_555 1_655 n
Mn1 Ow O3 47.30(16) 1_555 1_656 n
Mn1 Ow N1 86.41(24) 1_555 2_657 n
P1 Ow P1 107.05(18) 1_555 1_655 n
P1 Ow O1 25.18(9) 1_555 1_554 n
P1 Ow O2 25.43(9) 1_555 1_555 n
P1 Ow O2 129.57(26) 1_555 1_655 n
P1 Ow O3 91.28(19) 1_555 1_655 n
P1 Ow O3 110.86(23) 1_555 1_656 n
P1 Ow N1 141.62(24) 1_555 2_657 n
P1 Ow O1 83.20(16) 1_655 1_554 n
P1 Ow O2 129.92(23) 1_655 1_555 n
P1 Ow O2 25.72(10) 1_655 1_655 n
P1 Ow O3 26.53(9) 1_655 1_655 n
P1 Ow O3 103.44(20) 1_655 1_656 n
P1 Ow N1 111.27(20) 1_655 2_657 n
O1 Ow O2 50.58(14) 1_554 1_555 n
O1 Ow O2 107.67(24) 1_554 1_655 n
O1 Ow O3 66.13(17) 1_554 1_655 n
O1 Ow O3 125.85(25) 1_554 1_656 n
O1 Ow N1 164.43(25) 1_554 2_657 n
O2 Ow O2 146.9(4) 1_555 1_655 n
O2 Ow O3 116.70(24) 1_555 1_655 n
O2 Ow O3 92.02(23) 1_555 1_656 n
O2 Ow N1 117.22(25) 1_555 2_657 n
O2 Ow O3 50.36(15) 1_655 1_655 n
O2 Ow O3 82.64(20) 1_655 1_656 n
O2 Ow N1 87.52(22) 1_655 2_657 n
O3 Ow O3 129.73(25) 1_655 1_656 n
O3 Ow N1 124.86(27) 1_655 2_657 n
O3 Ow N1 58.08(20) 1_656 2_657 n
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 P1 3.3721(31) 1_555 n
Mn1 P1 3.5556(31) 1_556 n
Mn1 P1 3.5965(31) 1_656 n
Mn1 O1 2.151(5) 1_555 n
Mn1 O2 2.180(5) 1_555 n
Mn1 O3 2.172(5) 1_656 n
Mn1 O5 2.182(6) 2_557 n
Mn1 O6 2.259(5) 1_655 n
Mn1 C3 3.289(7) 1_655 n
Mn1 C3 3.400(7) 2_557 n
Mn1 Ow 2.356(7) 1_555 n
P1 Mn1 3.5965(31) 1_454 n
P1 Mn1 3.5556(31) 1_554 n
P1 Mn1 3.3721(31) 1_555 n
P1 O1 1.533(4) 1_554 n
P1 O2 1.525(4) 1_555 n
P1 O3 1.534(4) 1_555 n
P1 O4 1.633(4) 1_555 n
P1 O6 3.433(7) 1_655 n
P1 C1 2.761(6) 1_555 n
P1 C2 3.324(7) 1_555 n
P1 Ow 3.432(7) 1_455 n
P1 Ow 3.540(6) 1_555 n
O1 Mn1 2.151(5) 1_555 n
O1 P1 1.533(4) 1_556 n
O1 O2 2.569(5) 1_556 n
O1 O3 2.563(6) 1_556 n
O1 O4 2.492(6) 1_556 n
O1 O5 2.873(8) 2_557 n
O1 O6 3.060(8) 1_655 n
O1 Ow 2.920(7) 1_556 n
O2 Mn1 2.180(5) 1_555 n
O2 P1 1.525(4) 1_555 n
O2 O1 2.569(5) 1_554 n
O2 O3 2.474(5) 1_555 n
O2 O4 2.553(7) 1_555 n
O2 O5 3.109(7) 2_557 n
O2 O6 3.049(9) 1_655 n
O2 C2 3.093(9) 1_555 n
O2 Ow 2.764(7) 1_455 n
O2 Ow 3.085(8) 1_555 n
O3 Mn1 2.172(5) 1_454 n
O3 P1 1.534(4) 1_555 n
O3 O1 2.563(6) 1_554 n
O3 O2 2.474(5) 1_555 n
O3 O4 2.582(7) 1_555 n
O3 O5 3.182(8) 2_456 n
O3 O6 3.153(8) 1_554 n
O3 N1 2.865(9) 2_556 n
O3 Ow 2.909(7) 1_454 n
O3 Ow 3.024(9) 1_455 n
O4 P1 1.633(4) 1_555 n
O4 O1 2.492(6) 1_554 n
O4 O2 2.553(7) 1_555 n
O4 O3 2.582(7) 1_555 n
O4 O6 3.165(9) 1_655 n
O4 C1 1.457(4) 1_555 n
O4 C2 2.397(7) 1_555 n
O4 C3 3.058(11) 1_554 n
O4 N1 3.020(8) 1_554 n
O4 N1 2.958(9) 1_555 n
O5 Mn1 2.182(6) 2_547 n
O5 O1 2.873(8) 2_547 n
O5 O2 3.109(7) 2_547 n
O5 O3 3.182(8) 2_446 n
O5 O6 2.173(6) 1_555 n
O5 C1 3.044(9) 1_555 n
O5 C2 2.383(9) 1_555 n
O5 C3 1.238(5) 1_555 n
O5 N1 3.122(8) 1_455 n
O5 N1 2.702(9) 1_555 n
O6 Mn1 2.259(5) 1_455 n
O6 P1 3.433(7) 1_455 n
O6 O1 3.060(8) 1_455 n
O6 O2 3.049(9) 1_455 n
O6 O3 3.153(8) 1_556 n
O6 O4 3.165(9) 1_455 n
O6 O5 2.173(6) 1_555 n
O6 C1 3.072(10) 1_555 n
O6 C2 2.356(9) 1_555 n
O6 C3 1.228(5) 1_555 n
O6 N1 2.653(8) 1_455 n
C1 P1 2.761(6) 1_555 n
C1 O4 1.457(4) 1_555 n
C1 O5 3.044(9) 1_555 n
C1 O6 3.072(10) 1_555 n
C1 C2 1.513(5) 1_555 n
C1 C3 3.194(10) 1_554 n
C1 C3 2.452(8) 1_555 n
C1 N1 2.480(8) 1_555 n
C2 P1 3.324(7) 1_555 n
C2 O2 3.093(9) 1_555 n
C2 O4 2.397(7) 1_555 n
C2 O5 2.383(9) 1_555 n
C2 O6 2.356(9) 1_555 n
C2 C1 1.513(5) 1_555 n
C2 C3 1.536(5) 1_555 n
C2 N1 1.498(5) 1_555 n
C3 Mn1 3.289(7) 1_455 n
C3 Mn1 3.400(7) 2_547 n
C3 O4 3.058(11) 1_556 n
C3 O5 1.238(5) 1_555 n
C3 O6 1.228(5) 1_555 n
C3 C1 2.452(8) 1_555 n
C3 C1 3.194(10) 1_556 n
C3 C2 1.536(5) 1_555 n
C3 N1 2.433(7) 1_555 n
N1 O3 2.865(9) 2_546 n
N1 O4 2.958(9) 1_555 n
N1 O4 3.020(8) 1_556 n
N1 O5 2.702(9) 1_555 n
N1 O5 3.122(8) 1_655 n
N1 O6 2.653(8) 1_655 n
N1 C1 2.480(8) 1_555 n
N1 C2 1.498(5) 1_555 n
N1 C3 2.433(7) 1_555 n
N1 Ow 2.992(8) 2_647 n
Ow Mn1 2.356(7) 1_555 n
Ow P1 3.540(6) 1_555 n
Ow P1 3.432(7) 1_655 n
Ow O1 2.920(7) 1_554 n
Ow O2 3.085(8) 1_555 n
Ow O2 2.764(7) 1_655 n
Ow O3 3.024(9) 1_655 n
Ow O3 2.909(7) 1_656 n
Ow N1 2.992(8) 2_657 n
