# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yw-mn_tmaoh_hp_dmf_4
_database_code_depnum_ccdc_archive 'CCDC 1820099'
_audit_update_record             
;
2018-01-29 deposited with the CCDC.
2018-03-28 downloaded from the CCDC.
;
_audit_creation_date             2018-01-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        'Dimethylammonium manganese hypophosphite'
_chemical_formula_moiety         'H18 Mn3 O18 P9, 3(C2 H8 N)'
_chemical_formula_sum            'C6 H42 Mn3 N3 O18 P9'
_chemical_formula_weight         887.97
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Mn P2 C2 O6 N3'
_chemical_oxdiff_usercomment     
'Roughly cubic large crystal of Mn-TMAOH-HP_DMF stood for several months (likely Mn-DMA-HP)'
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'
Mn Mn 0.3368 0.7283 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6139(3)
_cell_length_b                   13.3050(3)
_cell_length_c                   19.3418(6)
_cell_angle_alpha                90
_cell_angle_beta                 109.188(3)
_cell_angle_gamma                90
_cell_volume                     3551.84(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4406
_cell_measurement_temperature    298.9(6)
_cell_measurement_theta_max      28.0310
_cell_measurement_theta_min      1.8910
_shelx_estimated_absorpt_T_max   0.617
_shelx_estimated_absorpt_T_min   0.500
_exptl_absorpt_coefficient_mu    1.519
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96373
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light pink'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    pink
_exptl_crystal_density_diffrn    1.661
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.529
_exptl_crystal_size_mid          0.468
_exptl_crystal_size_min          0.352
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14768
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.878
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.363
_diffrn_reflns_theta_min         1.475
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      298.9(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1183
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -80.00   10.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232  -57.0000 -150.0000 90

#__ type_ start__ end____ width___ exp.time_
  2 omega  -64.00   35.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232   57.0000   30.0000 99

#__ type_ start__ end____ width___ exp.time_
  3 omega  -64.00   23.00   1.0000   14.0850
omega____ theta____ kappa____ phi______ frames
    -      -27.1232   57.0000  150.0000 87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0018050000
_diffrn_orient_matrix_UB_12      0.0126944000
_diffrn_orient_matrix_UB_13      0.0360475000
_diffrn_orient_matrix_UB_21      -0.0459174000
_diffrn_orient_matrix_UB_22      -0.0229033000
_diffrn_orient_matrix_UB_23      -0.0063820000
_diffrn_orient_matrix_UB_31      0.0230766000
_diffrn_orient_matrix_UB_32      -0.0463982000
_diffrn_orient_matrix_UB_33      0.0129686000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5873
_reflns_number_total             7802
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34i (release 04-08-2014 CrysAlis171 .NET)
(compiled Aug  4 2014,14:34:23)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.788
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         7802
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0447
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0455P)²+3.4521P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1188
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All N(H,H) groups, All P(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 P1(H1A,H1B), P2(H2A,H2B), P3(H3A,H3B), P4(H4A,H4B), P5(H5A,H5B), P6(H6A,H6B),
 P7(H7A,H7B), P8(H8A,H8B), P9(H9A,H9B), N(HA,HB), N0AA(H0AA,H0AB), N1(H1C,H1D)
2.b Idealised Me refined as rotating group:
 C1AA(H1AA,H1AB,H1AC), C(HC,HD,HE), C2AA(H2AA,H2AB,H2AC), C3AA(H3AA,H3AB,H3AC),
  C0AA(H0AC,H0AD,H0AE), C15(H15A,H15B,H15C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.00183(3) 0.25443(3) 0.74828(2) 0.02135(11) Uani 1 1 d . . . . .
Mn2 Mn 0.33764(3) 0.24330(3) 0.58154(2) 0.02369(12) Uani 1 1 d . . . . .
Mn3 Mn 0.33089(3) 0.74443(3) 0.58755(2) 0.02408(12) Uani 1 1 d . . . . .
P1 P -0.03548(6) 0.50479(5) 0.73281(5) 0.03121(19) Uani 1 1 d . . . . .
H1A H -0.034629 0.505573 0.805402 0.037 Uiso 1 1 calc R . . . .
H1B H -0.132487 0.505407 0.687573 0.037 Uiso 1 1 calc R . . . .
P2 P 0.15005(6) 0.20235(7) 0.64643(5) 0.0346(2) Uani 1 1 d . . . . .
H2A H 0.117212 0.110042 0.612615 0.041 Uiso 1 1 calc R . . . .
H2B H 0.099896 0.278048 0.598664 0.041 Uiso 1 1 calc R . . . .
P3 P 0.16250(7) 0.82713(7) 0.66400(5) 0.0400(2) Uani 1 1 d . . . . .
H3A H 0.229818 0.902517 0.696283 0.048 Uiso 1 1 calc R . . . .
H3B H 0.085553 0.872945 0.609802 0.048 Uiso 1 1 calc R . . . .
P4 P 0.14283(7) 0.26890(7) 0.42814(5) 0.0393(2) Uani 1 1 d . . . . .
H4A H 0.069649 0.308179 0.452184 0.047 Uiso 1 1 calc R . . . .
H4B H 0.195246 0.350246 0.414543 0.047 Uiso 1 1 calc R . . . .
P5 P 0.40697(8) -0.00450(6) 0.62251(6) 0.0496(3) Uani 1 1 d . . . . .
H5A H 0.409339 0.015424 0.694149 0.060 Uiso 1 1 calc R . . . .
H5B H 0.502204 -0.024007 0.625153 0.060 Uiso 1 1 calc R . . . .
P6 P 0.55639(7) 0.25262(8) 0.72652(5) 0.0446(2) Uani 1 1 d . . . . .
H6A H 0.607448 0.342377 0.729243 0.053 Uiso 1 1 calc R . . . .
H6B H 0.598222 0.180145 0.693745 0.053 Uiso 1 1 calc R . . . .
P7 P 0.16541(7) 0.71552(7) 0.41916(5) 0.0487(3) Uani 1 1 d . . . . .
H7A H 0.213467 0.653968 0.383446 0.058 Uiso 1 1 calc R . . . .
H7B H 0.118340 0.652340 0.454615 0.058 Uiso 1 1 calc R . . . .
P8 P 0.34259(8) 0.49394(6) 0.56163(7) 0.0493(3) Uani 1 1 d . . . . .
H8A H 0.438053 0.492832 0.609787 0.059 Uiso 1 1 calc R . . . .
H8B H 0.346756 0.497690 0.490390 0.059 Uiso 1 1 calc R . . . .
P9 P 0.52600(7) 0.26289(9) 0.51574(5) 0.0513(3) Uani 1 1 d . . . . .
H9A H 0.554980 0.165051 0.539731 0.062 Uiso 1 1 calc R . . . .
H9B H 0.585120 0.328951 0.567759 0.062 Uiso 1 1 calc R . . . .
O0AA O 0.2956(2) 0.39853(17) 0.57027(16) 0.0541(7) Uani 1 1 d . . . . .
O2AA O 0.00980(19) 0.40983(16) 0.72001(15) 0.0478(7) Uani 1 1 d . . . . .
O3AA O 0.4577(2) 0.2682(3) 0.67993(18) 0.0917(12) Uani 1 1 d . . . . .
O4 O 0.25486(17) 0.2119(2) 0.65562(13) 0.0544(7) Uani 1 1 d . . . . .
O1AA O 0.29540(19) 0.58675(16) 0.57480(15) 0.0483(6) Uani 1 1 d . . . . .
O6 O 0.01160(18) 0.59898(15) 0.71934(14) 0.0414(6) Uani 1 1 d . . . . .
O7 O 0.0967(2) 0.2157(2) 0.35840(14) 0.0622(8) Uani 1 1 d . . . . .
O8 O 0.2091(2) 0.75555(18) 0.62771(19) 0.0634(9) Uani 1 1 d . . . . .
O9 O 0.20936(17) 0.20778(17) 0.48881(13) 0.0439(6) Uani 1 1 d . . . . .
O10 O 0.23950(18) 0.77441(17) 0.47590(13) 0.0468(6) Uani 1 1 d . . . . .
O11 O 0.09087(19) 0.77343(19) 0.36303(14) 0.0528(7) Uani 1 1 d . . . . .
O12 O 0.4297(2) 0.7206(3) 0.69806(15) 0.0780(10) Uani 1 1 d . . . . .
O13 O 0.4256(2) 0.2765(2) 0.51452(16) 0.0660(8) Uani 1 1 d . . . . .
O14 O 0.12371(17) 0.20847(19) 0.71441(13) 0.0436(6) Uani 1 1 d . . . . .
O1 O 0.45540(17) 0.7210(2) 0.55448(14) 0.0545(7) Uani 1 1 d . . . . .
O2 O 0.3740(3) 0.0853(2) 0.5792(2) 0.0856(11) Uani 1 1 d . . . . .
O3 O 0.3502(3) -0.0947(2) 0.59752(19) 0.0836(11) Uani 1 1 d . . . . .
N N 0.2063(2) -0.0090(2) 0.46249(16) 0.0453(7) Uani 1 1 d . . . . .
HA H 0.237009 -0.062745 0.486624 0.054 Uiso 1 1 calc R . . . .
HB H 0.233894 0.045127 0.487801 0.054 Uiso 1 1 calc R . . . .
O5 O 0.1250(2) 0.7874(2) 0.72000(17) 0.0642(8) Uani 1 1 d . . . . .
N0AA N 0.1528(2) 0.5592(2) 0.65416(15) 0.0410(7) Uani 1 1 d . . . . .
H0AA H 0.115805 0.589503 0.676390 0.049 Uiso 1 1 calc R . . . .
H0AB H 0.186576 0.606472 0.640756 0.049 Uiso 1 1 calc R . . . .
N1 N 0.3749(2) 0.2055(2) 0.80556(16) 0.0457(7) Uani 1 1 d . . . . .
H1C H 0.355483 0.205826 0.756863 0.055 Uiso 1 1 calc R . . . .
H1D H 0.439283 0.209516 0.821704 0.055 Uiso 1 1 calc R . . . .
C1AA C 0.2203(3) 0.4920(3) 0.7065(2) 0.0546(10) Uani 1 1 d . . . . .
H1AA H 0.256880 0.454674 0.682089 0.082 Uiso 1 1 calc GR . . . .
H1AB H 0.184617 0.446221 0.726405 0.082 Uiso 1 1 calc GR . . . .
H1AC H 0.263598 0.530893 0.745380 0.082 Uiso 1 1 calc GR . . . .
C C 0.0902(3) 0.5089(3) 0.5887(2) 0.0547(10) Uani 1 1 d . . . . .
HC H 0.047736 0.557200 0.557225 0.082 Uiso 1 1 calc GR . . . .
HD H 0.052503 0.458415 0.602455 0.082 Uiso 1 1 calc GR . . . .
HE H 0.129295 0.477821 0.563316 0.082 Uiso 1 1 calc GR . . . .
C2AA C 0.1054(3) -0.0130(3) 0.4596(3) 0.0589(11) Uani 1 1 d . . . . .
H2AA H 0.075186 -0.072023 0.433386 0.088 Uiso 1 1 calc GR . . . .
H2AB H 0.071971 0.045696 0.435144 0.088 Uiso 1 1 calc GR . . . .
H2AC H 0.102640 -0.015386 0.508524 0.088 Uiso 1 1 calc GR . . . .
C3AA C 0.2195(3) -0.0058(3) 0.3910(2) 0.0582(11) Uani 1 1 d . . . . .
H3AA H 0.192530 -0.065317 0.363903 0.087 Uiso 1 1 calc GR . . . .
H3AB H 0.287447 -0.002211 0.397341 0.087 Uiso 1 1 calc GR . . . .
H3AC H 0.187386 0.052353 0.364596 0.087 Uiso 1 1 calc GR . . . .
C0AA C 0.3352(3) 0.2945(3) 0.8307(2) 0.0600(11) Uani 1 1 d . . . . .
H0AC H 0.265967 0.294985 0.808780 0.090 Uiso 1 1 calc GR . . . .
H0AD H 0.361622 0.354143 0.816592 0.090 Uiso 1 1 calc GR . . . .
H0AE H 0.352105 0.292516 0.882975 0.090 Uiso 1 1 calc GR . . . .
C15 C 0.3462(3) 0.1110(3) 0.8300(2) 0.0669(12) Uani 1 1 d . . . . .
H15A H 0.276828 0.106039 0.812907 0.100 Uiso 1 1 calc GR . . . .
H15B H 0.369816 0.108478 0.882512 0.100 Uiso 1 1 calc GR . . . .
H15C H 0.373031 0.056178 0.810717 0.100 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O2AA 2.151(2) . ?
Mn1 O6 2.188(2) 2_546 ?
Mn1 O7 2.162(3) 4_566 ?
Mn1 O11 2.166(2) 3_566 ?
Mn1 O14 2.178(2) . ?
Mn1 O5 2.180(3) 2_546 ?
Mn2 O0AA 2.145(2) . ?
Mn2 O3AA 2.149(3) . ?
Mn2 O4 2.198(2) . ?
Mn2 O9 2.178(2) . ?
Mn2 O13 2.150(3) . ?
Mn2 O2 2.173(3) . ?
Mn3 O1AA 2.156(2) . ?
Mn3 O8 2.168(3) . ?
Mn3 O10 2.170(2) . ?
Mn3 O12 2.174(3) . ?
Mn3 O1 2.141(2) . ?
Mn3 O3 2.159(3) 1_565 ?
P1 O2AA 1.484(2) . ?
P1 O6 1.493(2) . ?
P2 O4 1.488(2) . ?
P2 O14 1.489(2) . ?
P3 O8 1.476(2) . ?
P3 O5 1.464(3) . ?
P4 O7 1.476(3) . ?
P4 O9 1.495(2) . ?
P5 O2 1.448(3) . ?
P5 O3 1.449(3) . ?
P6 O3AA 1.442(3) . ?
P6 O12 1.468(3) 2_646 ?
P7 O10 1.486(2) . ?
P7 O11 1.477(3) . ?
P8 O0AA 1.478(3) . ?
P8 O1AA 1.477(2) . ?
P9 O13 1.471(3) . ?
P9 O1 1.486(3) 3_666 ?
N C2AA 1.458(5) . ?
N C3AA 1.459(5) . ?
N0AA C1AA 1.463(5) . ?
N0AA C 1.458(5) . ?
N1 C0AA 1.469(5) . ?
N1 C15 1.452(5) . ?

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
O2AA Mn1 O6 176.71(8) . 2_546 ?
O2AA Mn1 O7 90.17(11) . 4_566 ?
O2AA Mn1 O11 88.87(10) . 3_566 ?
O2AA Mn1 O14 94.33(9) . . ?
O2AA Mn1 O5 90.02(10) . 2_546 ?
O7 Mn1 O6 88.88(10) 4_566 2_546 ?
O7 Mn1 O11 178.63(11) 4_566 3_566 ?
O7 Mn1 O14 91.44(11) 4_566 . ?
O7 Mn1 O5 90.85(13) 4_566 2_546 ?
O11 Mn1 O6 92.13(10) 3_566 2_546 ?
O11 Mn1 O14 87.65(10) 3_566 . ?
O11 Mn1 O5 90.13(12) 3_566 2_546 ?
O14 Mn1 O6 88.84(9) . 2_546 ?
O14 Mn1 O5 175.08(10) . 2_546 ?
O5 Mn1 O6 86.85(10) 2_546 2_546 ?
O0AA Mn2 O3AA 93.71(14) . . ?
O0AA Mn2 O4 92.79(11) . . ?
O0AA Mn2 O9 89.14(10) . . ?
O0AA Mn2 O13 87.07(11) . . ?
O0AA Mn2 O2 173.34(12) . . ?
O3AA Mn2 O4 85.20(12) . . ?
O3AA Mn2 O9 173.85(11) . . ?
O3AA Mn2 O13 91.49(13) . . ?
O3AA Mn2 O2 91.95(15) . . ?
O9 Mn2 O4 89.22(10) . . ?
O13 Mn2 O4 176.68(11) . . ?
O13 Mn2 O9 94.09(11) . . ?
O13 Mn2 O2 89.27(13) . . ?
O2 Mn2 O4 91.19(13) . . ?
O2 Mn2 O9 85.57(12) . . ?
O1AA Mn3 O8 84.98(9) . . ?
O1AA Mn3 O10 91.07(10) . . ?
O1AA Mn3 O12 91.60(13) . . ?
O1AA Mn3 O3 173.93(12) . 1_565 ?
O8 Mn3 O10 92.00(12) . . ?
O8 Mn3 O12 90.91(13) . . ?
O10 Mn3 O12 176.21(12) . . ?
O1 Mn3 O1AA 91.15(11) . . ?
O1 Mn3 O8 174.49(11) . . ?
O1 Mn3 O10 92.00(10) . . ?
O1 Mn3 O12 85.26(11) . . ?
O1 Mn3 O3 94.15(13) . 1_565 ?
O3 Mn3 O8 89.93(12) 1_565 . ?
O3 Mn3 O10 85.77(11) 1_565 . ?
O3 Mn3 O12 91.81(14) 1_565 . ?
O2AA P1 O6 115.41(14) . . ?
O4 P2 O14 116.39(15) . . ?
O5 P3 O8 117.53(17) . . ?
O7 P4 O9 116.15(15) . . ?
O2 P5 O3 116.4(2) . . ?
O3AA P6 O12 116.5(2) . 2_646 ?
O11 P7 O10 116.74(15) . . ?
O1AA P8 O0AA 115.98(16) . . ?
O13 P9 O1 116.67(17) . 3_666 ?
P8 O0AA Mn2 135.25(16) . . ?
P1 O2AA Mn1 135.34(14) . . ?
P6 O3AA Mn2 152.8(3) . . ?
P2 O4 Mn2 134.73(15) . . ?
P8 O1AA Mn3 136.48(15) . . ?
P1 O6 Mn1 130.81(13) . 2_556 ?
P4 O7 Mn1 139.88(17) . 4_565 ?
P3 O8 Mn3 140.90(16) . . ?
P4 O9 Mn2 133.65(14) . . ?
P7 O10 Mn3 134.30(15) . . ?
P7 O11 Mn1 135.29(16) . 3_566 ?
P6 O12 Mn3 139.9(2) 2_656 . ?
P9 O13 Mn2 139.11(19) . . ?
P2 O14 Mn1 139.07(15) . . ?
P9 O1 Mn3 132.92(16) 3_666 . ?
P5 O2 Mn2 145.4(2) . . ?
P5 O3 Mn3 153.5(2) . 1_545 ?
C2AA N C3AA 114.4(3) . . ?
P3 O5 Mn1 147.2(2) . 2_556 ?
C N0AA C1AA 114.1(3) . . ?
C15 N1 C0AA 113.7(3) . . ?


_olex2_exptl_crystal_mounting_method 'Mounted with paratone oil on cryoloop'
_olex2_submission_special_instructions 'No special instructions were received'
