#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:15:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179404 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/01/4330125.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_4330125
loop_
_publ_author_name
'Daniel N. Woodruff'
'Eric J. L. McInnes'
'Daniel O. Sells'
'Richard E. P. Winpenny'
'Richard A. Layfield'
_publ_section_title
;
 Synthesis, Structure, and Paramagnetism of Manganese(II) Iminophosphate
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9104
_journal_page_last               9109
_journal_paper_doi               10.1021/ic3014046
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C17 H35 Mn N4 P Si'
_chemical_formula_weight         409.49
_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                91.861(9)
_cell_angle_beta                 98.026(9)
_cell_angle_gamma                115.271(11)
_cell_formula_units_Z            2
_cell_length_a                   10.4186(12)
_cell_length_b                   10.8372(12)
_cell_length_c                   10.9199(12)
_cell_measurement_reflns_used    1731
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.5077
_cell_measurement_theta_min      2.9481
_cell_volume                     1098.2(2)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.3367
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_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  0.0656
_diffrn_reflns_av_sigmaI/netI    0.2308
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7013
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.96
_exptl_absorpt_coefficient_mu    0.735
_exptl_absorpt_correction_T_max  0.9301
_exptl_absorpt_correction_T_min  0.8669
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_description       cube
_exptl_crystal_F_000             438
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.777
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     223
_refine_ls_number_reflns         4717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.777
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0577P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1365
_reflns_number_gt                2079
_reflns_number_total             4717
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3014046_si_001_2.cif
_cod_data_source_block           nPr2Mn2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               4330125
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
P01 P 0.71419(14) 0.57944(12) 0.19124(12) 0.0188(3) Uani 1 1 d .
Si1 Si 0.63413(16) 0.29403(13) 0.25910(13) 0.0218(4) Uani 1 1 d .
N3 N 0.7000(4) 0.6590(4) 0.3153(3) 0.0207(10) Uani 1 1 d .
H3 H 0.6537 0.7079 0.3021 0.025 Uiso 1 1 calc R
N1 N 0.6309(4) 0.4175(4) 0.1663(3) 0.0191(9) Uani 1 1 d .
N4 N 0.8892(4) 0.6269(4) 0.2110(3) 0.0225(10) Uani 1 1 d .
H4 H 0.9129 0.5621 0.1946 0.027 Uiso 1 1 calc R
C7 C 0.7551(6) 0.6575(4) 0.4436(4) 0.0247(12) Uani 1 1 d .
H7A H 0.8262 0.6216 0.4477 0.030 Uiso 1 1 calc R
H7B H 0.6771 0.5973 0.4835 0.030 Uiso 1 1 calc R
C10 C 1.0087(5) 0.7583(4) 0.2509(4) 0.0212(12) Uani 1 1 d .
H10A H 0.9739 0.8204 0.2836 0.025 Uiso 1 1 calc R
H10B H 1.0532 0.7960 0.1800 0.025 Uiso 1 1 calc R
C15 C 0.6767(6) 0.4384(5) -0.2304(5) 0.0279(13) Uani 1 1 d .
H15 H 0.6458 0.4848 -0.2889 0.033 Uiso 1 1 calc R
C17 C 0.8074(6) 0.3889(5) -0.0709(5) 0.0274(13) Uani 1 1 d .
H17 H 0.8792 0.3980 -0.0054 0.033 Uiso 1 1 calc R
C13 C 0.6887(6) 0.2687(5) -0.1202(5) 0.0257(13) Uani 1 1 d .
H13 H 0.6661 0.1827 -0.0926 0.031 Uiso 1 1 calc R
C16 C 0.7998(6) 0.4961(5) -0.1385(5) 0.0271(13) Uani 1 1 d .
H16 H 0.8651 0.5883 -0.1241 0.033 Uiso 1 1 calc R
C1 C 0.5262(6) 0.1194(4) 0.1673(5) 0.0336(14) Uani 1 1 d .
H1A H 0.4265 0.1012 0.1496 0.050 Uiso 1 1 calc R
H1B H 0.5361 0.0502 0.2152 0.050 Uiso 1 1 calc R
H1C H 0.5613 0.1183 0.0908 0.050 Uiso 1 1 calc R
C14 C 0.6087(6) 0.2980(5) -0.2179(5) 0.0263(13) Uani 1 1 d .
H14 H 0.5239 0.2346 -0.2669 0.032 Uiso 1 1 calc R
C2 C 0.8229(5) 0.3165(5) 0.3107(5) 0.0318(14) Uani 1 1 d .
H2A H 0.8688 0.3215 0.2395 0.048 Uiso 1 1 calc R
H2B H 0.8207 0.2398 0.3537 0.048 Uiso 1 1 calc R
H2C H 0.8760 0.3995 0.3655 0.048 Uiso 1 1 calc R
C3 C 0.5537(6) 0.2974(5) 0.4021(5) 0.0356(15) Uani 1 1 d .
H3A H 0.6265 0.3622 0.4661 0.053 Uiso 1 1 calc R
H3B H 0.5167 0.2078 0.4306 0.053 Uiso 1 1 calc R
H3C H 0.4769 0.3240 0.3827 0.053 Uiso 1 1 calc R
C12 C 1.2431(6) 0.8863(5) 0.3925(5) 0.0360(14) Uani 1 1 d .
H12A H 1.2844 0.9278 0.3225 0.054 Uiso 1 1 calc R
H12B H 1.3149 0.8752 0.4504 0.054 Uiso 1 1 calc R
H12C H 1.2091 0.9440 0.4326 0.054 Uiso 1 1 calc R
C11 C 1.1195(5) 0.7485(5) 0.3492(5) 0.0260(13) Uani 1 1 d .
H11A H 1.0746 0.7092 0.4194 0.031 Uiso 1 1 calc R
H11B H 1.1557 0.6878 0.3160 0.031 Uiso 1 1 calc R
C8 C 0.8223(6) 0.7983(5) 0.5114(5) 0.0328(14) Uani 1 1 d .
H8A H 0.7534 0.8369 0.4993 0.039 Uiso 1 1 calc R
H8B H 0.9049 0.8556 0.4749 0.039 Uiso 1 1 calc R
C9 C 0.8710(6) 0.8037(6) 0.6503(5) 0.0422(16) Uani 1 1 d .
H9A H 0.7894 0.7509 0.6883 0.063 Uiso 1 1 calc R
H9B H 0.9145 0.8972 0.6867 0.063 Uiso 1 1 calc R
H9C H 0.9400 0.7665 0.6636 0.063 Uiso 1 1 calc R
Mn1 Mn 0.58035(9) 0.41913(7) -0.03444(7) 0.0201(2) Uani 1 1 d .
C5 C 0.7418(6) 0.8893(4) 0.0986(5) 0.0250(12) Uani 1 1 d .
H5A H 0.7750 0.8911 0.1865 0.030 Uiso 1 1 calc R
H5B H 0.6446 0.8815 0.0887 0.030 Uiso 1 1 calc R
C4 C 0.7409(5) 0.7672(4) 0.0291(4) 0.0223(12) Uani 1 1 d .
H4A H 0.7082 0.7668 -0.0586 0.027 Uiso 1 1 calc R
H4B H 0.8388 0.7768 0.0386 0.027 Uiso 1 1 calc R
N2 N 0.6475(4) 0.6321(4) 0.0706(3) 0.0191(9) Uani 1 1 d .
C6 C 0.8392(6) 1.0217(5) 0.0516(5) 0.0322(14) Uani 1 1 d .
H6A H 0.9371 1.0341 0.0692 0.048 Uiso 1 1 calc R
H6B H 0.8314 1.0974 0.0923 0.048 Uiso 1 1 calc R
H6C H 0.8107 1.0172 -0.0366 0.048 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'
Si Si 0.0817 0.0704 '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
N1 P01 N2 103.5(2) . .
N1 P01 N3 120.0(2) . .
N2 P01 N3 107.0(2) . .
N1 P01 N4 109.6(2) . .
N2 P01 N4 115.8(2) . .
N3 P01 N4 101.5(2) . .
N1 P01 Mn1 51.63(14) . .
N2 P01 Mn1 56.28(13) . .
N3 P01 Mn1 148.05(16) . .
N4 P01 Mn1 110.25(15) . .
N1 Si1 C2 111.3(2) . .
N1 Si1 C3 111.9(2) . .
C2 Si1 C3 107.8(2) . .
N1 Si1 C1 108.8(2) . .
C2 Si1 C1 108.4(2) . .
C3 Si1 C1 108.4(2) . .
C7 N3 P01 128.5(3) . .
C7 N3 H3 115.8 . .
P01 N3 H3 115.8 . .
P01 N1 Si1 129.9(2) . .
P01 N1 Mn1 93.72(17) . .
Si1 N1 Mn1 133.5(2) . .
C10 N4 P01 130.9(3) . .
C10 N4 H4 114.6 . .
P01 N4 H4 114.6 . .
N3 C7 C8 111.3(4) . .
N3 C7 H7A 109.4 . .
C8 C7 H7A 109.4 . .
N3 C7 H7B 109.4 . .
C8 C7 H7B 109.4 . .
H7A C7 H7B 108.0 . .
N4 C10 C11 111.9(4) . .
N4 C10 H10A 109.2 . .
C11 C10 H10A 109.2 . .
N4 C10 H10B 109.2 . .
C11 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
C16 C15 C14 107.2(5) . .
C16 C15 Mn1 76.0(3) . .
C14 C15 Mn1 74.1(3) . .
C16 C15 H15 126.4 . .
C14 C15 H15 126.4 . .
Mn1 C15 H15 115.7 . .
C13 C17 C16 107.6(5) . .
C13 C17 Mn1 72.9(3) . .
C16 C17 Mn1 70.9(3) . .
C13 C17 H17 126.2 . .
C16 C17 H17 126.2 . .
Mn1 C17 H17 121.7 . .
C17 C13 C14 108.4(4) . .
C17 C13 Mn1 76.1(3) . .
C14 C13 Mn1 70.7(3) . .
C17 C13 H13 125.8 . .
C14 C13 H13 125.8 . .
Mn1 C13 H13 119.3 . .
C15 C16 C17 107.9(4) . .
C15 C16 Mn1 71.4(3) . .
C17 C16 Mn1 77.0(3) . .
C15 C16 H16 126.1 . .
C17 C16 H16 126.1 . .
Mn1 C16 H16 117.5 . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C13 C14 C15 108.9(4) . .
C13 C14 Mn1 77.4(3) . .
C15 C14 Mn1 73.0(3) . .
C13 C14 H14 125.6 . .
C15 C14 H14 125.6 . .
Mn1 C14 H14 116.0 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C12 C11 C10 111.8(4) . .
C12 C11 H11A 109.2 . .
C10 C11 H11A 109.2 . .
C12 C11 H11B 109.2 . .
C10 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
C7 C8 C9 114.5(4) . .
C7 C8 H8A 108.6 . .
C9 C8 H8A 108.6 . .
C7 C8 H8B 108.6 . .
C9 C8 H8B 108.6 . .
H8A C8 H8B 107.6 . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N2 Mn1 N1 104.71(15) 2_665 .
N2 Mn1 N2 94.81(13) 2_665 .
N1 Mn1 N2 68.34(13) . .
N2 Mn1 C15 110.76(16) 2_665 .
N1 Mn1 C15 144.28(17) . .
N2 Mn1 C15 111.80(15) . .
N2 Mn1 C14 102.28(16) 2_665 .
N1 Mn1 C14 134.07(16) . .
N2 Mn1 C14 144.49(15) . .
C15 Mn1 C14 32.86(15) . .
N2 Mn1 C16 142.07(16) 2_665 .
N1 Mn1 C16 112.93(17) . .
N2 Mn1 C16 94.71(15) . .
C15 Mn1 C16 32.56(16) . .
C14 Mn1 C16 53.50(16) . .
N2 Mn1 C13 123.60(15) 2_665 .
N1 Mn1 C13 102.54(16) . .
N2 Mn1 C13 141.28(15) . .
C15 Mn1 C13 53.58(16) . .
C14 Mn1 C13 31.95(16) . .
C16 Mn1 C13 52.77(15) . .
N2 Mn1 C17 153.74(15) 2_665 .
N1 Mn1 C17 92.06(16) . .
N2 Mn1 C17 110.28(15) . .
C15 Mn1 C17 53.37(17) . .
C14 Mn1 C17 52.46(17) . .
C16 Mn1 C17 32.12(15) . .
C13 Mn1 C17 31.00(14) . .
N2 Mn1 P01 111.36(11) 2_665 .
N1 Mn1 P01 34.65(10) . .
N2 Mn1 P01 36.01(10) . .
C15 Mn1 P01 127.83(13) . .
C14 Mn1 P01 146.32(13) . .
C16 Mn1 P01 97.55(12) . .
C13 Mn1 P01 118.99(12) . .
C17 Mn1 P01 93.96(12) . .
N2 Mn1 Mn1 49.45(10) 2_665 2_665
N1 Mn1 Mn1 84.25(11) . 2_665
N2 Mn1 Mn1 45.36(10) . 2_665
C15 Mn1 Mn1 122.43(13) . 2_665
C14 Mn1 Mn1 140.58(14) . 2_665
C16 Mn1 Mn1 128.75(12) . 2_665
C13 Mn1 Mn1 171.90(12) . 2_665
C17 Mn1 Mn1 154.79(11) . 2_665
P01 Mn1 Mn1 69.11(4) . 2_665
C4 C5 C6 111.1(4) . .
C4 C5 H5A 109.4 . .
C6 C5 H5A 109.4 . .
C4 C5 H5B 109.4 . .
C6 C5 H5B 109.4 . .
H5A C5 H5B 108.0 . .
N2 C4 C5 114.4(4) . .
N2 C4 H4A 108.7 . .
C5 C4 H4A 108.7 . .
N2 C4 H4B 108.7 . .
C5 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
C4 N2 P01 118.2(3) . .
C4 N2 Mn1 113.9(3) . 2_665
P01 N2 Mn1 120.0(2) . 2_665
C4 N2 Mn1 125.5(3) . .
P01 N2 Mn1 87.71(16) . .
Mn1 N2 Mn1 85.19(13) 2_665 .
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 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P01 N1 1.584(4) .
P01 N2 1.636(4) .
P01 N3 1.640(4) .
P01 N4 1.648(4) .
P01 Mn1 2.7803(15) .
Si1 N1 1.713(4) .
Si1 C2 1.876(5) .
Si1 C3 1.878(5) .
Si1 C1 1.896(5) .
N3 C7 1.441(6) .
N3 H3 0.8600 .
N1 Mn1 2.184(4) .
N4 C10 1.436(5) .
N4 H4 0.8600 .
C7 C8 1.495(6) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C10 C11 1.504(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C15 C16 1.400(7) .
C15 C14 1.399(6) .
C15 Mn1 2.466(5) .
C15 H15 0.9300 .
C17 C13 1.382(6) .
C17 C16 1.420(7) .
C17 Mn1 2.603(5) .
C17 H17 0.9300 .
C13 C14 1.391(7) .
C13 Mn1 2.564(5) .
C13 H13 0.9300 .
C16 Mn1 2.524(5) .
C16 H16 0.9300 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C14 Mn1 2.479(5) .
C14 H14 0.9300 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C12 C11 1.501(6) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C8 C9 1.521(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
Mn1 N2 2.167(4) 2_665
Mn1 N2 2.314(4) .
Mn1 Mn1 3.0353(16) 2_665
C5 C4 1.499(6) .
C5 C6 1.517(6) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C4 N2 1.498(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
N2 Mn1 2.167(4) 2_665
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 P01 N3 C7 69.0(5) . .
N2 P01 N3 C7 -173.7(4) . .
N4 P01 N3 C7 -51.9(4) . .
Mn1 P01 N3 C7 133.7(4) . .
N2 P01 N1 Si1 -174.2(3) . .
N3 P01 N1 Si1 -55.2(4) . .
N4 P01 N1 Si1 61.7(4) . .
Mn1 P01 N1 Si1 162.4(4) . .
N2 P01 N1 Mn1 23.3(2) . .
N3 P01 N1 Mn1 142.4(2) . .
N4 P01 N1 Mn1 -100.76(19) . .
C2 Si1 N1 P01 -54.2(4) . .
C3 Si1 N1 P01 66.5(4) . .
C1 Si1 N1 P01 -173.7(3) . .
C2 Si1 N1 Mn1 101.3(3) . .
C3 Si1 N1 Mn1 -138.0(3) . .
C1 Si1 N1 Mn1 -18.2(4) . .
N1 P01 N4 C10 -171.1(4) . .
N2 P01 N4 C10 72.3(4) . .
N3 P01 N4 C10 -43.1(4) . .
Mn1 P01 N4 C10 133.7(4) . .
P01 N3 C7 C8 136.4(4) . .
P01 N4 C10 C11 132.8(4) . .
C16 C17 C13 C14 0.9(6) . .
Mn1 C17 C13 C14 63.8(4) . .
C16 C17 C13 Mn1 -62.8(4) . .
C14 C15 C16 C17 0.9(6) . .
Mn1 C15 C16 C17 69.0(4) . .
C14 C15 C16 Mn1 -68.1(3) . .
C13 C17 C16 C15 -1.2(6) . .
Mn1 C17 C16 C15 -65.3(4) . .
C13 C17 C16 Mn1 64.1(4) . .
C17 C13 C14 C15 -0.4(6) . .
Mn1 C13 C14 C15 66.9(3) . .
C17 C13 C14 Mn1 -67.3(4) . .
C16 C15 C14 C13 -0.3(6) . .
Mn1 C15 C14 C13 -69.8(4) . .
C16 C15 C14 Mn1 69.4(4) . .
N4 C10 C11 C12 -178.9(4) . .
N3 C7 C8 C9 174.7(5) . .
P01 N1 Mn1 N2 -106.41(19) . 2_665
Si1 N1 Mn1 N2 92.2(3) . 2_665
P01 N1 Mn1 N2 -17.05(17) . .
Si1 N1 Mn1 N2 -178.5(3) . .
P01 N1 Mn1 C15 80.5(3) . .
Si1 N1 Mn1 C15 -80.9(4) . .
P01 N1 Mn1 C14 129.5(2) . .
Si1 N1 Mn1 C14 -31.9(4) . .
P01 N1 Mn1 C16 68.8(2) . .
Si1 N1 Mn1 C16 -92.6(3) . .
P01 N1 Mn1 C13 123.46(19) . .
Si1 N1 Mn1 C13 -38.0(3) . .
P01 N1 Mn1 C17 93.99(19) . .
Si1 N1 Mn1 C17 -67.4(3) . .
Si1 N1 Mn1 P01 -161.4(4) . .
P01 N1 Mn1 Mn1 -61.00(16) . 2_665
Si1 N1 Mn1 Mn1 137.6(3) . 2_665
C16 C15 Mn1 N2 166.9(3) . 2_665
C14 C15 Mn1 N2 -80.4(3) . 2_665
C16 C15 Mn1 N1 -20.3(4) . .
C14 C15 Mn1 N1 92.4(4) . .
C16 C15 Mn1 N2 62.5(3) . .
C14 C15 Mn1 N2 175.3(3) . .
C16 C15 Mn1 C14 -112.8(5) . .
C14 C15 Mn1 C16 112.8(5) . .
C16 C15 Mn1 C13 -76.0(3) . .
C14 C15 Mn1 C13 36.8(3) . .
C16 C15 Mn1 C17 -37.2(3) . .
C14 C15 Mn1 C17 75.6(3) . .
C16 C15 Mn1 P01 24.9(3) . .
C14 C15 Mn1 P01 137.7(3) . .
C16 C15 Mn1 Mn1 112.5(3) . 2_665
C14 C15 Mn1 Mn1 -134.7(3) . 2_665
C13 C14 Mn1 N2 -136.1(3) . 2_665
C15 C14 Mn1 N2 109.4(3) . 2_665
C13 C14 Mn1 N1 -11.2(4) . .
C15 C14 Mn1 N1 -125.7(3) . .
C13 C14 Mn1 N2 106.9(3) . .
C15 C14 Mn1 N2 -7.6(5) . .
C13 C14 Mn1 C15 114.5(4) . .
C13 C14 Mn1 C16 76.4(3) . .
C15 C14 Mn1 C16 -38.1(3) . .
C15 C14 Mn1 C13 -114.5(4) . .
C13 C14 Mn1 C17 35.9(3) . .
C15 C14 Mn1 C17 -78.6(3) . .
C13 C14 Mn1 P01 41.0(4) . .
C15 C14 Mn1 P01 -73.5(4) . .
C13 C14 Mn1 Mn1 -174.6(2) . 2_665
C15 C14 Mn1 Mn1 70.9(4) . 2_665
C15 C16 Mn1 N2 -20.2(4) . 2_665
C17 C16 Mn1 N2 -134.4(3) . 2_665
C15 C16 Mn1 N1 167.3(3) . .
C17 C16 Mn1 N1 53.1(3) . .
C15 C16 Mn1 N2 -124.3(3) . .
C17 C16 Mn1 N2 121.5(3) . .
C17 C16 Mn1 C15 -114.2(4) . .
C15 C16 Mn1 C14 38.5(3) . .
C17 C16 Mn1 C14 -75.7(3) . .
C15 C16 Mn1 C13 78.7(3) . .
C17 C16 Mn1 C13 -35.5(3) . .
C15 C16 Mn1 C17 114.2(4) . .
C15 C16 Mn1 P01 -160.4(3) . .
C17 C16 Mn1 P01 85.4(3) . .
C15 C16 Mn1 Mn1 -91.2(3) . 2_665
C17 C16 Mn1 Mn1 154.6(2) . 2_665
C17 C13 Mn1 N2 170.0(3) . 2_665
C14 C13 Mn1 N2 54.4(3) . 2_665
C17 C13 Mn1 N1 -72.6(3) . .
C14 C13 Mn1 N1 171.8(3) . .
C17 C13 Mn1 N2 -1.7(4) . .
C14 C13 Mn1 N2 -117.3(3) . .
C17 C13 Mn1 C15 77.8(3) . .
C14 C13 Mn1 C15 -37.8(3) . .
C17 C13 Mn1 C14 115.6(4) . .
C17 C13 Mn1 C16 36.8(3) . .
C14 C13 Mn1 C16 -78.8(3) . .
C14 C13 Mn1 C17 -115.6(4) . .
C17 C13 Mn1 P01 -39.8(3) . .
C14 C13 Mn1 P01 -155.4(2) . .
C17 C13 Mn1 Mn1 140.7(8) . 2_665
C14 C13 Mn1 Mn1 25.1(10) . 2_665
C13 C17 Mn1 N2 -19.1(5) . 2_665
C16 C17 Mn1 N2 97.1(4) . 2_665
C13 C17 Mn1 N1 111.2(3) . .
C16 C17 Mn1 N1 -132.5(3) . .
C13 C17 Mn1 N2 178.9(3) . .
C16 C17 Mn1 N2 -64.9(3) . .
C13 C17 Mn1 C15 -78.5(3) . .
C16 C17 Mn1 C15 37.7(3) . .
C13 C17 Mn1 C14 -37.0(3) . .
C16 C17 Mn1 C14 79.2(3) . .
C13 C17 Mn1 C16 -116.2(5) . .
C16 C17 Mn1 C13 116.2(5) . .
C13 C17 Mn1 P01 145.9(3) . .
C16 C17 Mn1 P01 -97.9(3) . .
C13 C17 Mn1 Mn1 -167.9(3) . 2_665
C16 C17 Mn1 Mn1 -51.7(5) . 2_665
N1 P01 Mn1 N2 85.0(2) . 2_665
N2 P01 Mn1 N2 -67.4(2) . 2_665
N3 P01 Mn1 N2 -1.4(3) . 2_665
N4 P01 Mn1 N2 -175.52(18) . 2_665
N2 P01 Mn1 N1 -152.4(3) . .
N3 P01 Mn1 N1 -86.4(3) . .
N4 P01 Mn1 N1 99.4(2) . .
N1 P01 Mn1 N2 152.4(3) . .
N3 P01 Mn1 N2 66.0(3) . .
N4 P01 Mn1 N2 -108.2(2) . .
N1 P01 Mn1 C15 -133.2(2) . .
N2 P01 Mn1 C15 74.4(2) . .
N3 P01 Mn1 C15 140.4(3) . .
N4 P01 Mn1 C15 -33.7(2) . .
N1 P01 Mn1 C14 -92.0(3) . .
N2 P01 Mn1 C14 115.6(3) . .
N3 P01 Mn1 C14 -178.4(3) . .
N4 P01 Mn1 C14 7.4(3) . .
N1 P01 Mn1 C16 -120.0(2) . .
N2 P01 Mn1 C16 87.6(2) . .
N3 P01 Mn1 C16 153.6(3) . .
N4 P01 Mn1 C16 -20.53(19) . .
N1 P01 Mn1 C13 -68.6(2) . .
N2 P01 Mn1 C13 139.0(2) . .
N3 P01 Mn1 C13 -155.0(3) . .
N4 P01 Mn1 C13 30.8(2) . .
N1 P01 Mn1 C17 -87.9(2) . .
N2 P01 Mn1 C17 119.7(2) . .
N3 P01 Mn1 C17 -174.3(3) . .
N4 P01 Mn1 C17 11.55(18) . .
N1 P01 Mn1 Mn1 111.33(19) . 2_665
N2 P01 Mn1 Mn1 -41.06(17) . 2_665
N3 P01 Mn1 Mn1 24.9(3) . 2_665
N4 P01 Mn1 Mn1 -149.23(15) . 2_665
C6 C5 C4 N2 179.7(4) . .
C5 C4 N2 P01 -83.5(5) . .
C5 C4 N2 Mn1 65.7(4) . 2_665
C5 C4 N2 Mn1 167.4(3) . .
N1 P01 N2 C4 -151.6(3) . .
N3 P01 N2 C4 80.7(4) . .
N4 P01 N2 C4 -31.6(4) . .
Mn1 P01 N2 C4 -129.6(4) . .
N1 P01 N2 Mn1 61.2(3) . 2_665
N3 P01 N2 Mn1 -66.5(3) . 2_665
N4 P01 N2 Mn1 -178.9(2) . 2_665
Mn1 P01 N2 Mn1 83.1(2) . 2_665
N1 P01 N2 Mn1 -21.9(2) . .
N3 P01 N2 Mn1 -149.64(16) . .
N4 P01 N2 Mn1 98.02(19) . .
N2 Mn1 N2 C4 -116.1(4) 2_665 .
N1 Mn1 N2 C4 140.0(4) . .
C15 Mn1 N2 C4 -1.4(4) . .
C14 Mn1 N2 C4 3.0(5) . .
C16 Mn1 N2 C4 27.2(4) . .
C13 Mn1 N2 C4 57.0(5) . .
C17 Mn1 N2 C4 56.1(4) . .
P01 Mn1 N2 C4 123.5(4) . .
Mn1 Mn1 N2 C4 -116.1(4) 2_665 .
N2 Mn1 N2 P01 120.4(2) 2_665 .
N1 Mn1 N2 P01 16.47(16) . .
C15 Mn1 N2 P01 -124.97(19) . .
C14 Mn1 N2 P01 -120.6(3) . .
C16 Mn1 N2 P01 -96.36(19) . .
C13 Mn1 N2 P01 -66.5(3) . .
C17 Mn1 N2 P01 -67.5(2) . .
Mn1 Mn1 N2 P01 120.4(2) 2_665 .
N2 Mn1 N2 Mn1 0.0 2_665 2_665
N1 Mn1 N2 Mn1 -103.93(15) . 2_665
C15 Mn1 N2 Mn1 114.63(17) . 2_665
C14 Mn1 N2 Mn1 119.0(3) . 2_665
C16 Mn1 N2 Mn1 143.24(16) . 2_665
C13 Mn1 N2 Mn1 173.1(2) . 2_665
C17 Mn1 N2 Mn1 172.13(14) . 2_665
P01 Mn1 N2 Mn1 -120.4(2) . 2_665
