#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:17:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179962 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/56/7025642.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_7025642
loop_
_publ_author_name
'Wang, Mei'
'Yuan, Da-Qiang'
'Ma, Cheng-Bing'
'Yuan, Ming-Jian'
'Hu, Ming-Qiang'
'Li, Na'
'Chen, Hui'
'Chen, Chang-Neng'
'Liu, Qiu-Tian'
_publ_section_title
;
 The use of phosphonates for constructing 3d-4f clusters at high oxidation
 states: synthesis and characterization of two unusual heterometallic CeMn
 complexes.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7276
_journal_page_last               7285
_journal_paper_doi               10.1039/c002474k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C30 H174 Ce2 Mn6 O88 P6'
_chemical_formula_weight         2739.39
_chemical_name_systematic
;
?
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_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                   17.229(5)
_cell_length_b                   17.229(5)
_cell_length_c                   23.732(8)
_cell_measurement_reflns_used    10200
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.52
_cell_volume                     6101(3)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            46623
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.511
_exptl_absorpt_correction_T_max  .6430
_exptl_absorpt_correction_T_min  .4910
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2828
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .30
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.341
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     234
_refine_ls_number_reflns         4729
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_gt           0.0332
_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)+(0.0443P)²+5.1602P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0876
_reflns_number_gt                4496
_reflns_number_total             4729
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002474k.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        6100(3)
_cod_original_sg_symbol_H-M      P6(3)/m
_cod_database_code               7025642
#BEGIN Tags that were not found in dictionaries:
_refine_ls_r_factor_ref          0.0355
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z+1/2'
'-y, x-y, z'
'-x, -y, z+1/2'
'-x+y, -x, z'
'y, -x+y, z+1/2'
'-x, -y, -z'
'-x+y, -x, -z-1/2'
'y, -x+y, -z'
'x, y, -z-1/2'
'x-y, x, -z'
'-y, x-y, -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
Ce1 Ce 0.3333 0.6667 0.331767(9) 0.02296(8) Uani 1 3 d S
Mn1 Mn 0.53187(3) 0.80980(3) 0.2500 0.02314(11) Uani 1 2 d S
Mn2 Mn 0.45602(3) 0.58588(3) 0.2500 0.02330(11) Uani 1 2 d S
C1 C 0.63335(16) 0.72503(17) 0.40357(11) 0.0318(5) Uani 1 1 d .
C2 C 0.7191(2) 0.7323(3) 0.37967(17) 0.0695(12) Uani 1 1 d .
H2A H 0.7601 0.7404 0.4106 0.104 Uiso 1 1 calc R
H2B H 0.7478 0.7838 0.3541 0.104 Uiso 1 1 calc R
H2C H 0.7043 0.6774 0.3589 0.104 Uiso 1 1 calc R
C3 C 0.6579(3) 0.8123(2) 0.43464(16) 0.0606(10) Uani 1 1 d .
H3A H 0.6991 0.8209 0.4656 0.091 Uiso 1 1 calc R
H3B H 0.6034 0.8090 0.4498 0.091 Uiso 1 1 calc R
H3C H 0.6870 0.8628 0.4084 0.091 Uiso 1 1 calc R
C4 C 0.5885(3) 0.6458(3) 0.44358(19) 0.0781(14) Uani 1 1 d .
H4A H 0.6295 0.6539 0.4745 0.117 Uiso 1 1 calc R
H4B H 0.5731 0.5905 0.4232 0.117 Uiso 1 1 calc R
H4C H 0.5338 0.6419 0.4589 0.117 Uiso 1 1 calc R
C5 C 0.3980(2) 0.3984(2) 0.2500 0.0327(7) Uani 1 2 d S
C6 C 0.4166(3) 0.3214(3) 0.2500 0.0599(14) Uani 1 2 d S
H6A H 0.3597 0.2645 0.2500 0.090 Uiso 1 2 calc SR
H6B H 0.4510 0.3249 0.2837 0.090 Uiso 0.50 1 calc PR
H6C H 0.4510 0.3249 0.2163 0.090 Uiso 0.50 1 calc PR
P1 P 0.55673(4) 0.71006(4) 0.34592(3) 0.02580(14) Uani 1 1 d .
O1 O 0.43834(14) 0.68704(14) 0.2500 0.0237(4) Uani 1 2 d S
O2 O 0.17219(10) 0.63529(10) 0.30288(7) 0.0248(3) Uani 1 1 d .
O3 O 0.3333 0.6667 0.44228(14) 0.0339(7) Uani 1 3 d S
O4 O 0.60069(11) 0.79605(11) 0.30919(7) 0.0285(3) Uani 1 1 d .
O5 O 0.46589(11) 0.69277(11) 0.36946(7) 0.0289(3) Uani 1 1 d .
O6 O 0.54428(11) 0.62993(11) 0.30953(7) 0.0291(4) Uani 1 1 d .
O7 O 0.31715(16) 0.37887(15) 0.2500 0.0317(5) Uani 1 2 d S
O8 O 0.46550(16) 0.47718(16) 0.2500 0.0333(5) Uani 1 2 d S
O9 O 0.6651(2) 0.4854(2) 0.16429(13) 0.0748(8) Uani 1 1 d .
O10 O 0.6667 0.3333 0.3061(3) 0.0868(17) Uani 1 3 d S
O11 O 0.4446(2) 0.23137(19) 0.42266(13) 0.0697(7) Uani 1 1 d .
O12 O 0.6876(2) 0.6023(2) 0.2500 0.0591(9) Uani 1 2 d S
O13 O 0.8421(3) 0.7703(3) 0.2500 0.0765(11) Uani 1 2 d S
O14 O 0.52845(18) 0.41641(19) 0.41513(12) 0.0620(6) Uani 1 1 d D
H14A H 0.557(2) 0.428(3) 0.3833(12) 0.075 Uiso 1 1 d D
H14B H 0.480(2) 0.423(3) 0.4107(17) 0.082 Uiso 1 1 d D
O15 O 0.7833(3) 0.8920(3) 0.2500 0.106(2) Uani 1 2 d S
O16 O 0.17619(16) 0.64832(16) 0.49304(11) 0.0541(5) Uani 1 1 d D
H16A H 0.150(3) 0.605(2) 0.5178(14) 0.085(15) Uiso 1 1 d D
H16B H 0.138(2) 0.636(3) 0.4652(12) 0.076 Uiso 1 1 d D
O17 O 0.05982(17) 0.61818(16) 0.40027(11) 0.0559(6) Uani 1 1 d D
H17A H 0.093(3) 0.625(3) 0.3693(14) 0.094(16) Uiso 1 1 d D
H17B H 0.039(3) 0.654(2) 0.3943(16) 0.070 Uiso 1 1 d D
O18 O -0.0449(2) 0.7080(2) 0.40832(18) 0.0979(11) Uani 1 1 d .
O19 O -0.0248(3) 0.8368(3) 0.33140(19) 0.1176(15) 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'
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'
Ce Ce -0.2486 2.6331 '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
O5 Ce1 O5 105.59(5) 3_665 5_565
O5 Ce1 O5 105.59(5) 3_665 .
O5 Ce1 O5 105.59(5) 5_565 .
O5 Ce1 O1 72.55(6) 3_665 3_665
O5 Ce1 O1 126.79(6) 5_565 3_665
O5 Ce1 O1 126.57(6) . 3_665
O5 Ce1 O1 126.57(6) 3_665 8_566
O5 Ce1 O1 72.55(6) 5_565 8_566
O5 Ce1 O1 126.79(6) . 8_566
O1 Ce1 O1 68.57(6) 3_665 8_566
O5 Ce1 O1 126.79(6) 3_665 .
O5 Ce1 O1 126.57(6) 5_565 .
O5 Ce1 O1 72.55(6) . .
O1 Ce1 O1 68.57(6) 3_665 .
O1 Ce1 O1 68.57(6) 8_566 .
O5 Ce1 O3 66.88(4) 3_665 .
O5 Ce1 O3 66.88(4) 5_565 .
O5 Ce1 O3 66.88(4) . .
O1 Ce1 O3 139.43(4) 3_665 .
O1 Ce1 O3 139.43(4) 8_566 .
O1 Ce1 O3 139.43(4) . .
O5 Ce1 O2 69.89(5) 3_665 .
O5 Ce1 O2 70.10(5) 5_565 .
O5 Ce1 O2 171.93(6) . .
O1 Ce1 O2 59.27(6) 3_665 .
O1 Ce1 O2 59.22(6) 8_566 .
O1 Ce1 O2 115.52(5) . .
O3 Ce1 O2 105.05(4) . .
O5 Ce1 O2 70.10(5) 3_665 5_565
O5 Ce1 O2 171.93(6) 5_565 5_565
O5 Ce1 O2 69.89(5) . 5_565
O1 Ce1 O2 59.22(6) 3_665 5_565
O1 Ce1 O2 115.52(5) 8_566 5_565
O1 Ce1 O2 59.27(6) . 5_565
O3 Ce1 O2 105.05(4) . 5_565
O2 Ce1 O2 113.51(3) . 5_565
O5 Ce1 O2 171.93(6) 3_665 3_665
O5 Ce1 O2 69.89(5) 5_565 3_665
O5 Ce1 O2 70.10(5) . 3_665
O1 Ce1 O2 115.52(5) 3_665 3_665
O1 Ce1 O2 59.27(6) 8_566 3_665
O1 Ce1 O2 59.22(6) . 3_665
O3 Ce1 O2 105.05(4) . 3_665
O2 Ce1 O2 113.51(3) . 3_665
O2 Ce1 O2 113.51(3) 5_565 3_665
O5 Ce1 Mn1 64.13(5) 3_665 3_665
O5 Ce1 Mn1 99.30(4) 5_565 3_665
O5 Ce1 Mn1 154.95(4) . 3_665
O1 Ce1 Mn1 30.28(4) 3_665 3_665
O1 Ce1 Mn1 63.69(5) 8_566 3_665
O1 Ce1 Mn1 94.91(4) . 3_665
O3 Ce1 Mn1 122.405(13) . 3_665
O2 Ce1 Mn1 29.51(3) . 3_665
O2 Ce1 Mn1 85.06(3) 5_565 3_665
O2 Ce1 Mn1 122.61(4) 3_665 3_665
O5 Ce1 Mn1 99.30(4) 3_665 .
O5 Ce1 Mn1 154.95(4) 5_565 .
O5 Ce1 Mn1 64.13(5) . .
O1 Ce1 Mn1 63.69(5) 3_665 .
O1 Ce1 Mn1 94.91(4) 8_566 .
O1 Ce1 Mn1 30.28(4) . .
O3 Ce1 Mn1 122.405(13) . .
O2 Ce1 Mn1 122.61(4) . .
O2 Ce1 Mn1 29.51(3) 5_565 .
O2 Ce1 Mn1 85.06(3) 3_665 .
Mn1 Ce1 Mn1 93.970(17) 3_665 .
O2 Mn1 O2 85.12(10) 5_565 8_566
O2 Mn1 O1 85.96(7) 5_565 .
O2 Mn1 O1 85.96(7) 8_566 .
O2 Mn1 O4 90.64(8) 5_565 .
O2 Mn1 O4 175.45(7) 8_566 .
O1 Mn1 O4 95.39(7) . .
O2 Mn1 O4 175.45(7) 5_565 10_556
O2 Mn1 O4 90.64(8) 8_566 10_556
O1 Mn1 O4 95.39(7) . 10_556
O4 Mn1 O4 93.55(11) . 10_556
O2 Mn1 O7 90.98(7) 5_565 3_665
O2 Mn1 O7 90.98(7) 8_566 3_665
O1 Mn1 O7 175.84(10) . 3_665
O4 Mn1 O7 87.45(7) . 3_665
O4 Mn1 O7 87.45(7) 10_556 3_665
O2 Mn1 Mn2 43.18(5) 5_565 3_665
O2 Mn1 Mn2 43.18(5) 8_566 3_665
O1 Mn1 Mn2 92.63(7) . 3_665
O4 Mn1 Mn2 132.33(5) . 3_665
O4 Mn1 Mn2 132.33(5) 10_556 3_665
O7 Mn1 Mn2 83.22(7) 3_665 3_665
O2 Mn1 Ce1 90.66(5) 5_565 8_566
O2 Mn1 Ce1 44.49(5) 8_566 8_566
O1 Mn1 Ce1 42.32(4) . 8_566
O4 Mn1 Ce1 137.43(5) . 8_566
O4 Mn1 Ce1 87.44(5) 10_556 8_566
O7 Mn1 Ce1 135.07(5) 3_665 8_566
Mn2 Mn1 Ce1 68.088(12) 3_665 8_566
O2 Mn1 Ce1 44.49(5) 5_565 .
O2 Mn1 Ce1 90.66(5) 8_566 .
O1 Mn1 Ce1 42.32(4) . .
O4 Mn1 Ce1 87.44(5) . .
O4 Mn1 Ce1 137.43(5) 10_556 .
O7 Mn1 Ce1 135.07(5) 3_665 .
Mn2 Mn1 Ce1 68.088(12) 3_665 .
Ce1 Mn1 Ce1 64.81(3) 8_566 .
O2 Mn2 O2 85.24(10) 12_666 3_665
O2 Mn2 O1 85.95(7) 12_666 .
O2 Mn2 O1 85.95(7) 3_665 .
O2 Mn2 O6 175.28(7) 12_666 .
O2 Mn2 O6 90.34(8) 3_665 .
O1 Mn2 O6 95.43(7) . .
O2 Mn2 O6 90.34(8) 12_666 10_556
O2 Mn2 O6 175.28(7) 3_665 10_556
O1 Mn2 O6 95.43(7) . 10_556
O6 Mn2 O6 94.02(11) . 10_556
O2 Mn2 O8 91.27(7) 12_666 .
O2 Mn2 O8 91.27(7) 3_665 .
O1 Mn2 O8 176.21(10) . .
O6 Mn2 O8 87.14(7) . .
O6 Mn2 O8 87.14(7) 10_556 .
O2 Mn2 Mn1 43.24(5) 12_666 8_566
O2 Mn2 Mn1 43.24(5) 3_665 8_566
O1 Mn2 Mn1 92.62(7) . 8_566
O6 Mn2 Mn1 132.08(5) . 8_566
O6 Mn2 Mn1 132.08(5) 10_556 8_566
O8 Mn2 Mn1 83.59(7) . 8_566
O2 Mn2 Ce1 44.47(5) 12_666 8_566
O2 Mn2 Ce1 90.70(5) 3_665 8_566
O1 Mn2 Ce1 42.31(4) . 8_566
O6 Mn2 Ce1 137.49(5) . 8_566
O6 Mn2 Ce1 87.31(5) 10_556 8_566
O8 Mn2 Ce1 135.31(5) . 8_566
Mn1 Mn2 Ce1 68.084(12) 8_566 8_566
O2 Mn2 Ce1 90.70(5) 12_666 .
O2 Mn2 Ce1 44.47(5) 3_665 .
O1 Mn2 Ce1 42.31(4) . .
O6 Mn2 Ce1 87.31(5) . .
O6 Mn2 Ce1 137.49(5) 10_556 .
O8 Mn2 Ce1 135.31(5) . .
Mn1 Mn2 Ce1 68.084(12) 8_566 .
Ce1 Mn2 Ce1 64.81(3) 8_566 .
C4 C1 C2 110.0(3) . .
C4 C1 C3 110.4(3) . .
C2 C1 C3 108.5(3) . .
C4 C1 P1 109.5(2) . .
C2 C1 P1 109.5(2) . .
C3 C1 P1 108.94(19) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C1 C3 H3A 109.5 . .
C1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
C1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C1 C4 H4A 109.5 . .
C1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O7 C5 O8 125.8(3) . .
O7 C5 C6 117.1(3) . .
O8 C5 C6 117.1(3) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O5 P1 O6 110.75(9) . .
O5 P1 O4 110.57(9) . .
O6 P1 O4 108.76(10) . .
O5 P1 C1 110.31(11) . .
O6 P1 C1 108.15(11) . .
O4 P1 C1 108.21(11) . .
Mn2 O1 Mn1 125.25(11) . .
Mn2 O1 Ce1 107.41(6) . 8_566
Mn1 O1 Ce1 107.40(6) . 8_566
Mn2 O1 Ce1 107.41(6) . .
Mn1 O1 Ce1 107.40(6) . .
Ce1 O1 Ce1 98.85(8) 8_566 .
Mn2 O2 Mn1 93.58(8) 8_566 3_665
Mn2 O2 Ce1 106.07(7) 8_566 .
Mn1 O2 Ce1 106.00(7) 3_665 .
P1 O4 Mn1 119.36(10) . .
P1 O5 Ce1 135.66(10) . .
P1 O6 Mn2 119.27(10) . .
C5 O7 Mn1 123.9(2) . 8_566
C5 O8 Mn2 123.5(2) . .
H14A O14 H14B 108(3) . .
H16A O16 H16B 107(3) . .
H17A O17 H17B 104(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O5 2.2784(17) 3_665
Ce1 O5 2.2784(17) 5_565
Ce1 O5 2.2784(17) .
Ce1 O1 2.5547(15) 3_665
Ce1 O1 2.5547(15) 8_566
Ce1 O1 2.5547(15) .
Ce1 O3 2.623(3) .
Ce1 O2 2.6400(17) .
Ce1 O2 2.6400(17) 5_565
Ce1 O2 2.6400(17) 3_665
Ce1 Mn1 3.6210(9) 3_665
Ce1 Mn1 3.6210(9) .
Mn1 O2 1.8554(16) 5_565
Mn1 O2 1.8554(16) 8_566
Mn1 O1 1.914(2) .
Mn1 O4 1.9276(17) .
Mn1 O4 1.9276(17) 10_556
Mn1 O7 1.965(2) 3_665
Mn1 Mn2 2.7028(10) 3_665
Mn1 Ce1 3.6210(9) 8_566
Mn2 O2 1.8531(16) 12_666
Mn2 O2 1.8531(16) 3_665
Mn2 O1 1.913(2) .
Mn2 O6 1.9312(17) .
Mn2 O6 1.9312(17) 10_556
Mn2 O8 1.959(2) .
Mn2 Mn1 2.7028(10) 8_566
Mn2 Ce1 3.6211(9) 8_566
C1 C4 1.519(4) .
C1 C2 1.527(4) .
C1 C3 1.532(4) .
C1 P1 1.828(3) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 O7 1.259(4) .
C5 O8 1.271(4) .
C5 C6 1.513(5) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
P1 O5 1.5441(17) .
P1 O6 1.5496(18) .
P1 O4 1.5512(18) .
O1 Ce1 2.5547(15) 8_566
O2 Mn2 1.8531(16) 8_566
O2 Mn1 1.8554(16) 3_665
O7 Mn1 1.965(2) 8_566
O14 H14A 0.867(18) .
O14 H14B 0.895(18) .
O16 H16A 0.880(18) .
O16 H16B 0.880(18) .
O17 H17A 0.901(18) .
O17 H17B 0.877(18) .
