#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:03:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179522 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/19/4341965.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_4341965
loop_
_publ_author_name
'Luan, Lindong'
'Ding, Hejun'
'Yang, Meng'
'Lin, Zhien'
'Huang, Hui'
_publ_section_title
;
 A hybrid open-framework structure containing different manganese
 phosphate chains as its building blocks.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              19
_journal_page_last               21
_journal_paper_doi               10.1021/ic502601s
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C10 H19 Mn5 N2 O26 P3'
_chemical_formula_weight         950.88
_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                90.298(4)
_cell_angle_beta                 92.209(3)
_cell_angle_gamma                90.805(4)
_cell_formula_units_Z            2
_cell_length_a                   7.7266(3)
_cell_length_b                   7.9643(4)
_cell_length_c                   21.2205(8)
_cell_measurement_reflns_used    3420
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0400
_cell_measurement_theta_min      3.1860
_cell_volume                     1304.72(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω 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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            10709
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.19
_exptl_absorpt_coefficient_mu    2.658
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            light-pink
_exptl_crystal_density_diffrn    2.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.452
_refine_diff_density_min         -0.513
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5309
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0336
_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)+(0.0280P)²+0.4495P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0692
_refine_ls_wR_factor_ref         0.0756
_reflns_number_gt                4252
_reflns_number_total             5309
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502601s_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4341965--4341966.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4341965
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
Mn1 Mn 0.61130(6) 0.60285(6) 0.60548(2) 0.01309(12) Uani 1 1 d .
Mn2 Mn 0.29072(6) 0.84870(6) 0.55381(2) 0.01378(12) Uani 1 1 d .
Mn3 Mn 0.20044(6) 0.67359(6) 0.82351(2) 0.01369(12) Uani 1 1 d .
Mn4 Mn 0.52334(6) 0.42480(6) 0.87939(2) 0.01342(12) Uani 1 1 d .
Mn5 Mn 0.59743(6) 0.81821(7) 0.97460(2) 0.01818(13) Uani 1 1 d .
P1 P 0.58733(10) 0.74633(11) 0.45622(4) 0.01174(18) Uani 1 1 d .
P2 P 0.26565(10) 0.57450(11) 0.97999(4) 0.01203(18) Uani 1 1 d .
P3 P 0.32310(10) 0.05334(11) 0.88056(4) 0.01449(19) Uani 1 1 d .
O1 O 0.5082(3) 0.7126(3) 0.52057(10) 0.0154(5) Uani 1 1 d .
O2 O 0.7856(3) 0.7022(3) 0.46353(10) 0.0198(5) Uani 1 1 d .
H1 H 0.7989 0.6035 0.4539 0.030 Uiso 1 1 calc R
O3 O 0.5001(3) 0.6346(3) 0.40543(10) 0.0165(5) Uani 1 1 d .
O4 O 0.5795(3) 0.9280(3) 0.43720(10) 0.0172(5) Uani 1 1 d .
O5 O 0.4103(3) 0.6520(3) 1.02233(10) 0.0159(5) Uani 1 1 d .
O6 O 0.3220(3) 0.5841(3) 0.91185(10) 0.0186(5) Uani 1 1 d .
O7 O 0.1074(3) 0.6948(3) 0.98683(11) 0.0227(6) Uani 1 1 d .
H2 H 0.0188 0.6386 0.9910 0.034 Uiso 1 1 calc R
O8 O 0.2147(3) 0.3967(3) 0.99782(11) 0.0192(5) Uani 1 1 d .
O9 O 0.4156(3) 0.2010(3) 0.85274(10) 0.0223(5) Uani 1 1 d .
O10 O 0.1313(3) 0.1124(3) 0.89545(12) 0.0290(6) Uani 1 1 d .
H3 H 0.1101 0.1998 0.8766 0.043 Uiso 1 1 calc R
O11 O 0.4044(3) 0.0028(3) 0.94464(10) 0.0193(5) Uani 1 1 d .
O12 O 0.3034(3) -0.0915(3) 0.83565(10) 0.0240(6) Uani 1 1 d .
O13 O 0.8711(3) 0.5107(3) 0.58961(11) 0.0187(5) Uani 1 1 d .
O14 O 1.1317(3) 0.6051(3) 0.56393(11) 0.0197(5) Uani 1 1 d .
O15 O 0.7850(3) 0.8242(3) 0.62137(10) 0.0176(5) Uani 1 1 d .
O16 O 1.0406(3) 0.9202(3) 0.59120(11) 0.0194(5) Uani 1 1 d .
O17 O 0.4225(3) 0.5358(3) 0.78878(10) 0.0180(5) Uani 1 1 d .
O18 O 0.6089(3) 0.5430(3) 0.71106(10) 0.0202(5) Uani 1 1 d .
O19 O 0.1996(3) 0.7201(3) 0.71954(10) 0.0214(6) Uani 1 1 d .
O20 O 0.3962(3) 0.7457(3) 0.64521(10) 0.0170(5) Uani 1 1 d .
O21 O 0.7738(3) 0.3551(3) 0.84932(11) 0.0200(5) Uani 1 1 d .
O22 O 1.0337(3) 0.4492(3) 0.82479(13) 0.0316(7) Uani 1 1 d .
O23 O 0.6811(3) 0.6716(3) 0.87848(10) 0.0194(5) Uani 1 1 d .
O24 O 0.9414(3) 0.7625(3) 0.84915(11) 0.0211(5) Uani 1 1 d .
OW1 O 0.1652(3) 0.8270(3) 0.45908(10) 0.0209(5) Uani 1 1 d .
H4 H 0.1355 0.7280 0.4556 0.031 Uiso 1 1 d R
H5 H 0.0802 0.8866 0.4544 0.031 Uiso 1 1 d R
OW2 O 0.8087(3) 0.9820(3) 0.94802(12) 0.0357(7) Uani 1 1 d .
H6 H 0.8120 1.0714 0.9677 0.054 Uiso 1 1 d R
H7 H 0.8986 0.9642 0.9323 0.064(17) Uiso 1 1 d R
N1 N 0.2978(3) 0.8504(4) 0.33199(12) 0.0212(7) Uani 1 1 d .
H8 H 0.2766 0.9409 0.3559 0.025 Uiso 1 1 calc R
H9 H 0.3507 0.7739 0.3568 0.025 Uiso 1 1 calc R
N2 N 0.1622(4) 0.9476(4) 0.21066(13) 0.0266(7) Uani 1 1 d .
H10 H 0.1099 1.0223 0.1849 0.032 Uiso 1 1 calc R
H11 H 0.1864 0.8563 0.1876 0.032 Uiso 1 1 calc R
C1 C 0.9826(4) 0.6240(4) 0.58308(14) 0.0143(7) Uani 1 1 d .
C2 C 0.9326(4) 0.8061(4) 0.60015(14) 0.0140(7) Uani 1 1 d .
C3 C 0.4712(4) 0.5788(4) 0.73479(14) 0.0126(7) Uani 1 1 d .
C4 C 0.3406(4) 0.6915(4) 0.69713(14) 0.0140(7) Uani 1 1 d .
C5 C 0.8840(4) 0.4697(4) 0.84257(15) 0.0163(7) Uani 1 1 d .
C6 C 0.8294(4) 0.6511(4) 0.85815(14) 0.0148(7) Uani 1 1 d .
C7 C 0.1298(4) 0.7782(5) 0.30596(16) 0.0236(8) Uani 1 1 d .
H12 H 0.0541 0.7539 0.3403 0.028 Uiso 1 1 calc R
H13 H 0.1509 0.6738 0.2840 0.028 Uiso 1 1 calc R
C8 C 0.0431(5) 0.8992(5) 0.26125(16) 0.0275(9) Uani 1 1 d .
H14 H -0.0612 0.8476 0.2425 0.033 Uiso 1 1 calc R
H15 H 0.0101 0.9987 0.2842 0.033 Uiso 1 1 calc R
C9 C 0.4144(5) 0.8998(5) 0.28123(16) 0.0258(8) Uani 1 1 d .
H16 H 0.4455 0.8010 0.2575 0.031 Uiso 1 1 calc R
H17 H 0.5198 0.9501 0.2996 0.031 Uiso 1 1 calc R
C10 C 0.3265(5) 1.0227(5) 0.23797(17) 0.0286(9) Uani 1 1 d .
H18 H 0.3014 1.1243 0.2612 0.034 Uiso 1 1 calc R
H19 H 0.4025 1.0524 0.2043 0.034 Uiso 1 1 calc 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'
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
O3 Mn1 O1 98.34(9) 2_666 .
O3 Mn1 O13 92.72(9) 2_666 .
O1 Mn1 O13 109.30(8) . .
O3 Mn1 O15 166.97(8) 2_666 .
O1 Mn1 O15 90.18(9) . .
O13 Mn1 O15 75.09(8) . .
O3 Mn1 O20 101.58(9) 2_666 .
O1 Mn1 O20 80.90(8) . .
O13 Mn1 O20 161.18(8) . .
O15 Mn1 O20 89.44(8) . .
O3 Mn1 O18 84.12(9) 2_666 .
O1 Mn1 O18 153.56(8) . .
O13 Mn1 O18 96.81(8) . .
O15 Mn1 O18 92.65(8) . .
O20 Mn1 O18 72.86(8) . .
O4 Mn2 O1 95.01(9) 2_676 .
O4 Mn2 O16 99.77(9) 2_676 1_455
O1 Mn2 O16 164.75(9) . 1_455
O4 Mn2 OW1 110.02(9) 2_676 .
O1 Mn2 OW1 89.29(8) . .
O16 Mn2 OW1 89.17(8) 1_455 .
O4 Mn2 O20 94.76(9) 2_676 .
O1 Mn2 O20 80.12(8) . .
O16 Mn2 O20 94.83(8) 1_455 .
OW1 Mn2 O20 153.87(9) . .
O4 Mn2 O14 168.78(9) 2_676 1_455
O1 Mn2 O14 91.59(8) . 1_455
O16 Mn2 O14 73.22(8) 1_455 1_455
OW1 Mn2 O14 79.08(9) . 1_455
O20 Mn2 O14 77.42(8) . 1_455
O12 Mn3 O22 164.65(9) 1_565 1_455
O12 Mn3 O6 92.63(9) 1_565 .
O22 Mn3 O6 87.18(10) 1_455 .
O12 Mn3 O17 101.56(9) 1_565 .
O22 Mn3 O17 93.46(9) 1_455 .
O6 Mn3 O17 78.57(8) . .
O12 Mn3 O24 91.09(9) 1_565 1_455
O22 Mn3 O24 74.19(9) 1_455 1_455
O6 Mn3 O24 105.19(8) . 1_455
O17 Mn3 O24 166.70(9) . 1_455
O12 Mn3 O19 87.44(9) 1_565 .
O22 Mn3 O19 99.83(10) 1_455 .
O6 Mn3 O19 152.28(8) . .
O17 Mn3 O19 74.28(8) . .
O24 Mn3 O19 102.52(8) 1_455 .
O9 Mn4 O21 92.69(9) . .
O9 Mn4 O6 108.48(9) . .
O21 Mn4 O6 158.43(9) . .
O9 Mn4 O5 95.30(9) . 2_667
O21 Mn4 O5 91.41(8) . 2_667
O6 Mn4 O5 90.72(8) . 2_667
O9 Mn4 O17 89.28(9) . .
O21 Mn4 O17 98.18(8) . .
O6 Mn4 O17 78.53(8) . .
O5 Mn4 O17 169.18(8) 2_667 .
O9 Mn4 O23 161.78(9) . .
O21 Mn4 O23 74.99(8) . .
O6 Mn4 O23 83.46(8) . .
O5 Mn4 O23 98.33(8) 2_667 .
O17 Mn4 O23 79.46(8) . .
OW2 Mn5 O11 91.79(10) . 1_565
OW2 Mn5 O5 167.54(9) . .
O11 Mn5 O5 94.96(8) 1_565 .
OW2 Mn5 O11 81.40(9) . 2_667
O11 Mn5 O11 76.36(9) 1_565 2_667
O5 Mn5 O11 90.02(8) . 2_667
OW2 Mn5 O8 92.20(9) . 2_667
O11 Mn5 O8 174.68(9) 1_565 2_667
O5 Mn5 O8 81.76(8) . 2_667
O11 Mn5 O8 107.72(8) 2_667 2_667
OW2 Mn5 O23 80.82(9) . .
O11 Mn5 O23 106.32(8) 1_565 .
O5 Mn5 O23 107.17(8) . .
O11 Mn5 O23 162.09(8) 2_667 .
O8 Mn5 O23 70.89(8) 2_667 .
O4 P1 O3 110.53(13) . .
O4 P1 O1 113.05(13) . .
O3 P1 O1 110.32(13) . .
O4 P1 O2 106.45(13) . .
O3 P1 O2 109.52(12) . .
O1 P1 O2 106.79(12) . .
O8 P2 O5 114.06(13) . .
O8 P2 O6 111.67(13) . .
O5 P2 O6 107.94(13) . .
O8 P2 O7 110.06(13) . .
O5 P2 O7 104.89(13) . .
O6 P2 O7 107.85(13) . .
O12 P3 O9 112.58(13) . .
O12 P3 O11 112.58(14) . .
O9 P3 O11 112.07(13) . .
O12 P3 O10 106.73(14) . .
O9 P3 O10 107.29(14) . .
O11 P3 O10 104.99(13) . .
P1 O1 Mn1 132.19(12) . .
P1 O1 Mn2 122.90(13) . .
Mn1 O1 Mn2 102.04(8) . .
P1 O2 H1 109.5 . .
P1 O3 Mn1 140.18(14) . 2_666
P1 O4 Mn2 142.67(14) . 2_676
P2 O5 Mn4 125.38(13) . 2_667
P2 O5 Mn5 115.84(12) . .
Mn4 O5 Mn5 117.66(9) 2_667 .
P2 O6 Mn4 120.56(13) . .
P2 O6 Mn3 134.28(13) . .
Mn4 O6 Mn3 102.60(9) . .
P2 O7 H2 109.5 . .
P2 O8 Mn5 126.30(12) . 2_667
P3 O9 Mn4 139.97(14) . .
P3 O10 H3 109.5 . .
P3 O11 Mn5 134.04(13) . 1_545
P3 O11 Mn5 119.65(13) . 2_667
Mn5 O11 Mn5 103.64(9) 1_545 2_667
P3 O12 Mn3 144.20(15) . 1_545
C1 O13 Mn1 114.2(2) . .
C1 O14 Mn2 115.1(2) . 1_655
C2 O15 Mn1 113.6(2) . .
C2 O16 Mn2 117.7(2) . 1_655
C3 O17 Mn3 115.4(2) . .
C3 O17 Mn4 141.3(2) . .
Mn3 O17 Mn4 99.67(8) . .
C3 O18 Mn1 112.82(19) . .
C4 O19 Mn3 112.26(19) . .
C4 O20 Mn1 115.8(2) . .
C4 O20 Mn2 138.9(2) . .
Mn1 O20 Mn2 96.88(8) . .
C5 O21 Mn4 117.8(2) . .
C5 O22 Mn3 116.3(2) . 1_655
C6 O23 Mn4 112.1(2) . .
C6 O23 Mn5 128.8(2) . .
Mn4 O23 Mn5 103.81(8) . .
C6 O24 Mn3 116.2(2) . 1_655
Mn2 OW1 H4 105.0 . .
Mn2 OW1 H5 113.2 . .
H4 OW1 H5 109.5 . .
Mn5 OW2 H6 112.8 . .
Mn5 OW2 H7 132.5 . .
H6 OW2 H7 111.3 . .
C9 N1 C7 111.8(3) . .
C9 N1 H8 109.3 . .
C7 N1 H8 109.3 . .
C9 N1 H9 109.3 . .
C7 N1 H9 109.3 . .
H8 N1 H9 107.9 . .
C8 N2 C10 111.0(3) . .
C8 N2 H10 109.4 . .
C10 N2 H10 109.4 . .
C8 N2 H11 109.4 . .
C10 N2 H11 109.4 . .
H10 N2 H11 108.0 . .
O14 C1 O13 126.2(3) . .
O14 C1 C2 116.2(3) . .
O13 C1 C2 117.5(3) . .
O16 C2 O15 126.1(3) . .
O16 C2 C1 117.7(3) . .
O15 C2 C1 116.2(3) . .
O18 C3 O17 126.6(3) . .
O18 C3 C4 119.0(3) . .
O17 C3 C4 114.4(3) . .
O19 C4 O20 127.0(3) . .
O19 C4 C3 118.8(3) . .
O20 C4 C3 114.1(3) . .
O22 C5 O21 125.2(3) . .
O22 C5 C6 117.6(3) . .
O21 C5 C6 117.2(3) . .
O24 C6 O23 127.0(3) . .
O24 C6 C5 115.3(3) . .
O23 C6 C5 117.8(3) . .
N1 C7 C8 110.6(3) . .
N1 C7 H12 109.5 . .
C8 C7 H12 109.5 . .
N1 C7 H13 109.5 . .
C8 C7 H13 109.5 . .
H12 C7 H13 108.1 . .
N2 C8 C7 110.3(3) . .
N2 C8 H14 109.6 . .
C7 C8 H14 109.6 . .
N2 C8 H15 109.6 . .
C7 C8 H15 109.6 . .
H14 C8 H15 108.1 . .
N1 C9 C10 110.2(3) . .
N1 C9 H16 109.6 . .
C10 C9 H16 109.6 . .
N1 C9 H17 109.6 . .
C10 C9 H17 109.6 . .
H16 C9 H17 108.1 . .
N2 C10 C9 109.9(3) . .
N2 C10 H18 109.7 . .
C9 C10 H18 109.7 . .
N2 C10 H19 109.7 . .
C9 C10 H19 109.7 . .
H18 C10 H19 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O3 2.075(2) 2_666
Mn1 O1 2.138(2) .
Mn1 O13 2.185(2) .
Mn1 O15 2.217(2) .
Mn1 O20 2.218(2) .
Mn1 O18 2.294(2) .
Mn2 O4 2.034(2) 2_676
Mn2 O1 2.152(2) .
Mn2 O16 2.198(2) 1_455
Mn2 OW1 2.203(2) .
Mn2 O20 2.239(2) .
Mn2 O14 2.297(2) 1_455
Mn3 O12 2.034(2) 1_565
Mn3 O22 2.189(3) 1_455
Mn3 O6 2.191(2) .
Mn3 O17 2.198(2) .
Mn3 O24 2.219(2) 1_455
Mn3 O19 2.239(2) .
Mn4 O9 2.025(2) .
Mn4 O21 2.141(2) .
Mn4 O6 2.152(2) .
Mn4 O5 2.220(2) 2_667
Mn4 O17 2.238(2) .
Mn4 O23 2.299(2) .
Mn5 OW2 2.168(3) .
Mn5 O11 2.188(2) 1_565
Mn5 O5 2.223(2) .
Mn5 O11 2.224(2) 2_667
Mn5 O8 2.323(2) 2_667
Mn5 O23 2.458(2) .
P1 O4 1.506(2) .
P1 O3 1.525(2) .
P1 O1 1.541(2) .
P1 O2 1.578(2) .
P2 O8 1.518(2) .
P2 O5 1.528(2) .
P2 O6 1.528(2) .
P2 O7 1.575(2) .
P3 O12 1.495(2) .
P3 O9 1.503(2) .
P3 O11 1.534(2) .
P3 O10 1.603(2) .
O2 H1 0.8200 .
O3 Mn1 2.075(2) 2_666
O4 Mn2 2.034(2) 2_676
O5 Mn4 2.220(2) 2_667
O7 H2 0.8200 .
O8 Mn5 2.323(2) 2_667
O10 H3 0.8200 .
O11 Mn5 2.188(2) 1_545
O11 Mn5 2.224(2) 2_667
O12 Mn3 2.034(2) 1_545
O13 C1 1.251(4) .
O14 C1 1.247(4) .
O14 Mn2 2.297(2) 1_655
O15 C2 1.252(4) .
O16 C2 1.245(4) .
O16 Mn2 2.198(2) 1_655
O17 C3 1.267(4) .
O18 C3 1.231(4) .
O19 C4 1.229(4) .
O20 C4 1.273(4) .
O21 C5 1.252(4) .
O22 C5 1.243(4) .
O22 Mn3 2.189(3) 1_655
O23 C6 1.252(4) .
O24 C6 1.251(4) .
O24 Mn3 2.219(2) 1_655
OW1 H4 0.8197 .
OW1 H5 0.8191 .
OW2 H6 0.8240 .
OW2 H7 0.7960 .
N1 C9 1.482(4) .
N1 C7 1.497(4) .
N1 H8 0.9000 .
N1 H9 0.9000 .
N2 C8 1.490(4) .
N2 C10 1.491(4) .
N2 H10 0.9000 .
N2 H11 0.9000 .
C1 C2 1.551(4) .
C3 C4 1.560(4) .
C5 C6 1.549(5) .
C7 C8 1.502(5) .
C7 H12 0.9700 .
C7 H13 0.9700 .
C8 H14 0.9700 .
C8 H15 0.9700 .
C9 C10 1.498(5) .
C9 H16 0.9700 .
C9 H17 0.9700 .
C10 H18 0.9700 .
C10 H19 0.9700 .
