#------------------------------------------------------------------------------
#$Date: 2019-11-24 06:28:51 +0200 (Sun, 24 Nov 2019) $
#$Revision: 236956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/99/4349931.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_4349931
loop_
_publ_author_name
'Wang, Gao-Xiang'
'Yin, Jianhao'
'Li, Jiapeng'
'Yin, Zhu-Bao'
'Zhang, Wen-Xiong'
'Xi, Zhenfeng'
_publ_section_title
;
 Synthesis and characterization of manganese(ii) complexes supported by
 cyclopentadienyl-phosphine ligands
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              428
_journal_paper_doi               10.1039/C8QI01054D
_journal_volume                  6
_journal_year                    2019
_chemical_formula_moiety         'C31 H36 Mn N P'
_chemical_formula_sum            'C31 H36 Mn N P'
_chemical_formula_weight         508.52
_chemical_name_systematic        L1MnNH2
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2018-08-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-09-27 deposited with the CCDC.
2018-12-07 downloaded from the CCDC.
;
_cell_angle_alpha                116.797(3)
_cell_angle_beta                 96.699(3)
_cell_angle_gamma                106.485(3)
_cell_formula_units_Z            2
_cell_length_a                   10.0194(3)
_cell_length_b                   12.4401(4)
_cell_length_c                   13.4146(4)
_cell_measurement_reflns_used    12251
_cell_measurement_temperature    179.99(11)
_cell_measurement_theta_max      30.2810
_cell_measurement_theta_min      3.6370
_cell_volume                     1371.44(10)
_computing_cell_refinement       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_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    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(11)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -21.00  87.00   0.50    3.00    --   -1.60  38.00  30.00  216
  2  ω    -26.00  59.00   0.50    3.00    --   -1.60  19.00-120.00  170
  3  ω     35.00  66.00   0.50    3.00    --   -1.60  57.00 120.00   62
  4  ω    -25.00  53.00   0.50    3.00    --   -1.60  57.00 -30.00  156
  5  ω    -25.00   4.00   0.50    3.00    --   -1.60  57.00 120.00   58
  6  ω    -21.00  87.00   0.50    3.00    --   -1.60  38.00 -90.00  216
  7  ω    -24.00  16.00   0.50    3.00    --   -1.60  19.00 120.00   80
  8  ω     21.00  81.00   0.50    3.00    --   -1.60  19.00 120.00  120
  9  ω    -19.00  32.00   0.50    3.00    --    1.90 -77.00 -90.00  102
 10  ω      2.00  34.00   0.50    3.00    --    1.90 -82.00-150.00   64
 11  ω    -28.00  -1.00   0.50    3.00    --    1.90 -82.00-150.00   54
 12  ω      9.00  34.00   0.50    3.00    --    1.90 -82.00  90.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0256712000
_diffrn_orient_matrix_UB_12      0.0634060000
_diffrn_orient_matrix_UB_13      0.0496466000
_diffrn_orient_matrix_UB_21      0.0661885000
_diffrn_orient_matrix_UB_22      -0.0061351000
_diffrn_orient_matrix_UB_23      0.0162440000
_diffrn_orient_matrix_UB_31      0.0299205000
_diffrn_orient_matrix_UB_32      0.0266167000
_diffrn_orient_matrix_UB_33      -0.0330504000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0325
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            35623
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.424
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orangish orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_description       block
_exptl_crystal_F_000             538
_exptl_crystal_preparation       'L1MnCl + NaNH2'
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.238
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         6266
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0902P)²+0.6933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1480
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5406
_reflns_number_total             6266
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8qi01054d2.cif
_cod_data_source_block           exp_1497
_cod_original_cell_volume        1371.44(8)
_cod_database_code               4349931
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H P Mn Na N'
_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.
;
_shelx_estimated_absorpt_t_max   0.994
_shelx_estimated_absorpt_t_min   0.994
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.42
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C24(H24A,H24B), C26(H26A,H26B), C30(H30A,H30B), C28(H28A,H28B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C8(H8), C17(H17), C11(H11), C10(H10), C9(H9), C19(H19), C14(H14),
 C15(H15), C16(H16), C23(H23), C20(H20), C22(H22), C21(H21)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C29(H29A,H29B,H29C), C31(H31A,H31B,H31C), C27(H27A,H27B,
 H27C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.445
_oxdiff_exptl_absorpt_empirical_full_min 0.746
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Mn1 Mn 0.51389(3) 0.50795(3) 0.39243(3) 0.03509(12) Uani 1 1 d .
P1 P 0.71577(5) 0.73365(5) 0.44961(4) 0.03051(14) Uani 1 1 d .
N1 N 0.3906(2) 0.5600(2) 0.50928(19) 0.0403(4) Uani 1 1 d .
C12 C 0.7178(2) 0.8854(2) 0.56782(17) 0.0308(4) Uani 1 1 d .
C7 C 0.6873(2) 0.7529(2) 0.32358(18) 0.0328(4) Uani 1 1 d .
C6 C 0.5884(2) 0.64588(19) 0.21885(18) 0.0339(4) Uani 1 1 d .
C1 C 0.5080(2) 0.51854(19) 0.20802(18) 0.0340(4) Uani 1 1 d .
C2 C 0.3598(2) 0.4738(2) 0.20480(18) 0.0352(4) Uani 1 1 d .
C13 C 0.5887(2) 0.9069(2) 0.5599(2) 0.0402(5) Uani 1 1 d .
H13 H 0.509737 0.848345 0.494177 0.048 Uiso 1 1 calc R
C18 C 0.9032(2) 0.7455(2) 0.4816(2) 0.0390(5) Uani 1 1 d .
C8 C 0.7581(2) 0.8722(2) 0.3305(2) 0.0402(5) Uani 1 1 d .
H8 H 0.822049 0.942902 0.400722 0.048 Uiso 1 1 calc R
C17 C 0.8348(3) 0.9742(2) 0.6660(2) 0.0418(5) Uani 1 1 d .
H17 H 0.921854 0.961482 0.671982 0.050 Uiso 1 1 calc R
C5 C 0.5647(3) 0.4233(2) 0.2035(2) 0.0444(5) Uani 1 1 d .
C11 C 0.5628(3) 0.6637(2) 0.1235(2) 0.0457(5) Uani 1 1 d .
H11 H 0.494893 0.595331 0.053909 0.055 Uiso 1 1 calc R
C10 C 0.6361(3) 0.7806(3) 0.1302(2) 0.0494(6) Uani 1 1 d .
H10 H 0.619765 0.788772 0.064737 0.059 Uiso 1 1 calc R
C9 C 0.7335(3) 0.8851(2) 0.2341(2) 0.0460(5) Uani 1 1 d .
H9 H 0.782140 0.963679 0.238785 0.055 Uiso 1 1 calc R
C3 C 0.3233(3) 0.3508(2) 0.1958(2) 0.0415(5) Uani 1 1 d .
C24 C 0.2621(3) 0.5491(2) 0.2166(2) 0.0480(6) Uani 1 1 d .
H24A H 0.322098 0.641299 0.261165 0.058 Uiso 1 1 calc R
H24B H 0.198378 0.531196 0.261031 0.058 Uiso 1 1 calc R
C19 C 1.0017(3) 0.7782(2) 0.4251(3) 0.0494(6) Uani 1 1 d .
H19 H 0.973708 0.795196 0.366942 0.059 Uiso 1 1 calc R
C14 C 0.5773(3) 1.0153(3) 0.6495(3) 0.0524(6) Uani 1 1 d .
H14 H 0.491056 1.029236 0.643367 0.063 Uiso 1 1 calc R
C4 C 0.4482(3) 0.3196(2) 0.1965(2) 0.0494(6) Uani 1 1 d .
C15 C 0.6930(4) 1.1016(3) 0.7467(2) 0.0581(7) Uani 1 1 d .
H15 H 0.684496 1.173284 0.806885 0.070 Uiso 1 1 calc R
C16 C 0.8226(3) 1.0827(3) 0.7559(2) 0.0572(7) Uani 1 1 d .
H16 H 0.901272 1.142042 0.821649 0.069 Uiso 1 1 calc R
C23 C 0.9466(3) 0.7168(3) 0.5649(3) 0.0594(7) Uani 1 1 d .
H23 H 0.880583 0.691991 0.601240 0.071 Uiso 1 1 calc R
C26 C 0.1730(3) 0.2659(3) 0.1827(3) 0.0593(7) Uani 1 1 d .
H26A H 0.127852 0.320962 0.231369 0.071 Uiso 1 1 calc R
H26B H 0.181715 0.208195 0.211018 0.071 Uiso 1 1 calc R
C20 C 1.1425(3) 0.7851(3) 0.4566(4) 0.0690(9) Uani 1 1 d .
H20 H 1.208451 0.806803 0.418954 0.083 Uiso 1 1 calc R
C22 C 1.0884(4) 0.7245(4) 0.5955(4) 0.0808(11) Uani 1 1 d .
H22 H 1.116392 0.705098 0.651966 0.097 Uiso 1 1 calc R
C30 C 0.7192(3) 0.4321(3) 0.2084(3) 0.0641(8) Uani 1 1 d .
H30A H 0.777137 0.516561 0.220951 0.077 Uiso 1 1 calc R
H30B H 0.758376 0.426604 0.274823 0.077 Uiso 1 1 calc R
C25 C 0.1691(4) 0.5198(4) 0.1025(4) 0.0774(10) Uani 1 1 d .
H25A H 0.230710 0.538005 0.057791 0.116 Uiso 1 1 calc GR
H25B H 0.112580 0.573196 0.118714 0.116 Uiso 1 1 calc GR
H25C H 0.105391 0.429703 0.059058 0.116 Uiso 1 1 calc GR
C21 C 1.1857(3) 0.7604(3) 0.5426(4) 0.0828(12) Uani 1 1 d .
H21 H 1.281086 0.768183 0.564531 0.099 Uiso 1 1 calc R
C28 C 0.4577(4) 0.1993(3) 0.1986(3) 0.0622(7) Uani 1 1 d .
H28A H 0.558939 0.214055 0.225108 0.075 Uiso 1 1 calc R
H28B H 0.409945 0.187797 0.254012 0.075 Uiso 1 1 calc R
C29 C 0.3873(5) 0.0747(3) 0.0788(4) 0.0870(12) Uani 1 1 d .
H29A H 0.433694 0.085733 0.023520 0.131 Uiso 1 1 calc GR
H29B H 0.285893 0.057270 0.053890 0.131 Uiso 1 1 calc GR
H29C H 0.398273 0.003064 0.084097 0.131 Uiso 1 1 calc GR
C31 C 0.7345(5) 0.3280(4) 0.1004(4) 0.0830(11) Uani 1 1 d .
H31A H 0.697381 0.333272 0.034191 0.125 Uiso 1 1 calc GR
H31B H 0.680672 0.243932 0.088817 0.125 Uiso 1 1 calc GR
H31C H 0.835128 0.340370 0.109468 0.125 Uiso 1 1 calc GR
C27 C 0.0735(4) 0.1837(4) 0.0571(4) 0.0894(13) Uani 1 1 d .
H27A H 0.116880 0.128330 0.008292 0.134 Uiso 1 1 calc GR
H27B H 0.060567 0.240065 0.029469 0.134 Uiso 1 1 calc GR
H27C H -0.019068 0.131245 0.055081 0.134 Uiso 1 1 calc GR
H1A H 0.297(4) 0.534(3) 0.484(3) 0.053(8) Uiso 1 1 d .
H1B H 0.397(5) 0.642(5) 0.554(4) 0.089(12) Uiso 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'
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'
P P 0.1023 0.0942 '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
P1 Mn1 Mn1 110.54(2) . 2_666
N1 Mn1 Mn1 43.94(6) 2_666 2_666
N1 Mn1 Mn1 44.85(5) . 2_666
N1 Mn1 P1 105.14(6) 2_666 .
N1 Mn1 P1 103.89(6) . .
N1 Mn1 N1 88.79(8) . 2_666
N1 Mn1 C1 129.58(7) . .
N1 Mn1 C1 141.44(8) 2_666 .
N1 Mn1 C2 152.63(8) 2_666 .
N1 Mn1 C2 103.08(8) . .
N1 Mn1 C5 108.94(8) 2_666 .
N1 Mn1 C5 156.97(9) . .
N1 Mn1 C3 103.60(8) . .
N1 Mn1 C3 121.50(8) 2_666 .
N1 Mn1 C4 99.39(9) 2_666 .
N1 Mn1 C4 130.88(9) . .
C1 Mn1 Mn1 173.65(5) . 2_666
C1 Mn1 P1 72.68(5) . .
C1 Mn1 C2 32.20(7) . .
C1 Mn1 C3 53.58(7) . .
C2 Mn1 Mn1 141.59(5) . 2_666
C2 Mn1 P1 95.93(5) . .
C5 Mn1 Mn1 150.19(6) . 2_666
C5 Mn1 P1 86.00(6) . .
C5 Mn1 C1 33.42(7) . .
C5 Mn1 C2 54.66(8) . .
C5 Mn1 C3 54.84(8) . .
C5 Mn1 C4 33.97(8) . .
C3 Mn1 Mn1 122.13(5) . 2_666
C3 Mn1 P1 125.53(5) . .
C3 Mn1 C2 32.00(7) . .
C4 Mn1 Mn1 124.70(6) . 2_666
C4 Mn1 P1 119.91(7) . .
C4 Mn1 C1 55.03(8) . .
C4 Mn1 C2 54.25(8) . .
C4 Mn1 C3 32.75(8) . .
C12 P1 Mn1 119.93(7) . .
C7 P1 Mn1 106.55(7) . .
C7 P1 C12 103.21(9) . .
C7 P1 C18 105.61(10) . .
C18 P1 Mn1 115.67(7) . .
C18 P1 C12 104.37(10) . .
Mn1 N1 Mn1 91.21(8) . 2_666
Mn1 N1 H1A 121(2) 2_666 .
Mn1 N1 H1A 121(2) . .
Mn1 N1 H1B 124(3) . .
Mn1 N1 H1B 113(3) 2_666 .
H1A N1 H1B 90(3) . .
C13 C12 P1 116.51(16) . .
C17 C12 P1 124.37(17) . .
C17 C12 C13 119.0(2) . .
C6 C7 P1 117.97(15) . .
C6 C7 C8 120.48(19) . .
C8 C7 P1 121.52(16) . .
C7 C6 C1 122.48(19) . .
C11 C6 C7 117.41(19) . .
C11 C6 C1 120.07(19) . .
C6 C1 Mn1 118.33(13) . .
C2 C1 Mn1 75.82(12) . .
C2 C1 C6 124.38(19) . .
C2 C1 C5 108.28(19) . .
C5 C1 Mn1 70.08(13) . .
C5 C1 C6 127.3(2) . .
C1 C2 Mn1 71.98(12) . .
C1 C2 C24 125.6(2) . .
C3 C2 Mn1 72.66(13) . .
C3 C2 C1 107.84(19) . .
C3 C2 C24 126.5(2) . .
C24 C2 Mn1 118.20(15) . .
C12 C13 H13 119.8 . .
C14 C13 C12 120.5(2) . .
C14 C13 H13 119.8 . .
C19 C18 P1 124.0(2) . .
C23 C18 P1 117.04(19) . .
C23 C18 C19 119.0(2) . .
C7 C8 H8 119.7 . .
C9 C8 C7 120.6(2) . .
C9 C8 H8 119.7 . .
C12 C17 H17 119.9 . .
C12 C17 C16 120.3(2) . .
C16 C17 H17 119.9 . .
C1 C5 Mn1 76.50(13) . .
C1 C5 C30 126.6(2) . .
C4 C5 Mn1 73.10(15) . .
C4 C5 C1 107.0(2) . .
C4 C5 C30 126.4(2) . .
C30 C5 Mn1 115.0(2) . .
C6 C11 H11 119.2 . .
C10 C11 C6 121.7(2) . .
C10 C11 H11 119.2 . .
C11 C10 H10 119.9 . .
C9 C10 C11 120.1(2) . .
C9 C10 H10 119.9 . .
C8 C9 C10 119.7(2) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C2 C3 Mn1 75.33(13) . .
C2 C3 C26 124.7(2) . .
C4 C3 Mn1 69.85(14) . .
C4 C3 C2 108.8(2) . .
C4 C3 C26 126.5(2) . .
C26 C3 Mn1 122.79(18) . .
C2 C24 H24A 108.4 . .
C2 C24 H24B 108.4 . .
C2 C24 C25 115.5(3) . .
H24A C24 H24B 107.5 . .
C25 C24 H24A 108.4 . .
C25 C24 H24B 108.4 . .
C18 C19 H19 120.3 . .
C20 C19 C18 119.4(3) . .
C20 C19 H19 120.3 . .
C13 C14 H14 120.0 . .
C15 C14 C13 120.1(2) . .
C15 C14 H14 120.0 . .
C5 C4 Mn1 72.93(14) . .
C5 C4 C28 126.7(3) . .
C3 C4 Mn1 77.39(15) . .
C3 C4 C5 108.1(2) . .
C3 C4 C28 125.0(2) . .
C28 C4 Mn1 112.46(19) . .
C14 C15 H15 119.8 . .
C14 C15 C16 120.4(2) . .
C16 C15 H15 119.8 . .
C17 C16 H16 120.1 . .
C15 C16 C17 119.8(2) . .
C15 C16 H16 120.1 . .
C18 C23 H23 119.6 . .
C18 C23 C22 120.8(3) . .
C22 C23 H23 119.6 . .
C3 C26 H26A 108.8 . .
C3 C26 H26B 108.8 . .
C3 C26 C27 114.0(3) . .
H26A C26 H26B 107.7 . .
C27 C26 H26A 108.8 . .
C27 C26 H26B 108.8 . .
C19 C20 H20 119.5 . .
C21 C20 C19 121.1(3) . .
C21 C20 H20 119.5 . .
C23 C22 H22 120.0 . .
C21 C22 C23 120.0(3) . .
C21 C22 H22 120.0 . .
C5 C30 H30A 108.7 . .
C5 C30 H30B 108.7 . .
H30A C30 H30B 107.6 . .
C31 C30 C5 114.2(3) . .
C31 C30 H30A 108.7 . .
C31 C30 H30B 108.7 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C20 C21 H21 120.1 . .
C22 C21 C20 119.7(3) . .
C22 C21 H21 120.1 . .
C4 C28 H28A 109.1 . .
C4 C28 H28B 109.1 . .
H28A C28 H28B 107.8 . .
C29 C28 C4 112.6(3) . .
C29 C28 H28A 109.1 . .
C29 C28 H28B 109.1 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 Mn1 3.0194(6) 2_666
Mn1 P1 2.6525(6) .
Mn1 N1 2.1299(19) 2_666
Mn1 N1 2.096(2) .
Mn1 C1 2.531(2) .
Mn1 C2 2.580(2) .
Mn1 C5 2.447(3) .
Mn1 C3 2.546(2) .
Mn1 C4 2.449(3) .
P1 C12 1.830(2) .
P1 C7 1.814(2) .
P1 C18 1.825(2) .
N1 H1A 0.87(3) .
N1 H1B 0.90(5) .
C12 C13 1.395(3) .
C12 C17 1.386(3) .
C7 C6 1.403(3) .
C7 C8 1.406(3) .
C6 C1 1.490(3) .
C6 C11 1.401(3) .
C1 C2 1.418(3) .
C1 C5 1.434(3) .
C2 C3 1.413(3) .
C2 C24 1.510(3) .
C13 H13 0.9300 .
C13 C14 1.391(4) .
C18 C19 1.392(3) .
C18 C23 1.379(4) .
C8 H8 0.9300 .
C8 C9 1.376(3) .
C17 H17 0.9300 .
C17 C16 1.397(4) .
C5 C4 1.430(3) .
C5 C30 1.512(4) .
C11 H11 0.9300 .
C11 C10 1.387(3) .
C10 H10 0.9300 .
C10 C9 1.383(4) .
C9 H9 0.9300 .
C3 C4 1.411(4) .
C3 C26 1.511(3) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 C25 1.521(4) .
C19 H19 0.9300 .
C19 C20 1.391(4) .
C14 H14 0.9300 .
C14 C15 1.369(4) .
C4 C28 1.539(4) .
C15 H15 0.9300 .
C15 C16 1.386(4) .
C16 H16 0.9300 .
C23 H23 0.9300 .
C23 C22 1.395(4) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 C27 1.534(5) .
C20 H20 0.9300 .
C20 C21 1.375(6) .
C22 H22 0.9300 .
C22 C21 1.362(6) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 C31 1.507(5) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C21 H21 0.9300 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 C29 1.534(5) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
