#------------------------------------------------------------------------------
#$Date: 2021-01-07 08:24:15 +0200 (Thu, 07 Jan 2021) $
#$Revision: 260769 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/60/7706014.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_7706014
loop_
_publ_author_name
'Arata, Shogo'
'Suzuki, Kosuke'
'Yamaguchi, Kazuya'
'Sunada, Yusuke'
_publ_section_title
;
 Supersilyl as an effective monodentate ligand to stabilize
 four-coordinate manganese(II) complexes.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17537
_journal_page_last               17541
_journal_paper_doi               10.1039/d0dt03837g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C40 H96 Mn2 N4 Si8'
_chemical_formula_sum            'C40 H96 Mn2 N4 Si8'
_chemical_formula_weight         967.79
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-08-31 deposited with the CCDC.	2020-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                97.083(5)
_cell_angle_beta                 97.254(5)
_cell_angle_gamma                108.321(5)
_cell_formula_units_Z            2
_cell_length_a                   9.769(4)
_cell_length_b                   12.962(5)
_cell_length_c                   14.713(5)
_cell_measurement_reflns_used    4380
_cell_measurement_temperature    203
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.03
_cell_volume                     1728.0(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      203
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1324
_diffrn_reflns_av_unetI/netI     0.1289
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14386
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.536
_diffrn_reflns_theta_min         3.212
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.860
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1052.00
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     248
_refine_ls_number_reflns         7644
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0714
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1023P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1888
_refine_ls_wR_factor_ref         0.2151
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5136
_reflns_number_total             7644
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0dt03837g2.cif
_cod_data_source_block           '[Mn(Si(SiMe3)3)(NHC)(m-H)]2'
_cod_depositor_comments
'Adding full bibliography for 7706013--7706016.cif.'
_cod_original_cell_volume        1727.9(11)
_cod_database_code               7706014
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.56572(6) 0.50665(4) 0.59166(4) 0.03093(17) Uani 1 1 d . . . . .
Si1 Si 0.53689(12) 0.37010(8) 0.70793(7) 0.0347(2) Uani 1 1 d . . . . .
Si2 Si 0.36436(13) 0.35125(9) 0.80780(8) 0.0413(3) Uani 1 1 d . . . . .
Si3 Si 0.76209(14) 0.42277(10) 0.80825(8) 0.0491(3) Uani 1 1 d . . . . .
Si4 Si 0.50286(15) 0.19105(9) 0.63576(9) 0.0473(3) Uani 1 1 d . . . . .
N1 N 0.7101(3) 0.7556(2) 0.6950(2) 0.0366(7) Uani 1 1 d . . . . .
N2 N 0.8589(3) 0.7155(2) 0.6131(2) 0.0386(7) Uani 1 1 d . . . . .
C1 C 0.3285(6) 0.4848(4) 0.8349(4) 0.0605(12) Uani 1 1 d . . . . .
H1A H 0.296649 0.506602 0.777385 0.073 Uiso 1 1 calc R U . . .
H1B H 0.252670 0.475235 0.872918 0.073 Uiso 1 1 calc R U . . .
H1C H 0.417618 0.541442 0.868395 0.073 Uiso 1 1 calc R U . . .
C2 C 0.4251(6) 0.3140(5) 0.9213(3) 0.0694(14) Uani 1 1 d . . . . .
H2A H 0.519494 0.367384 0.950818 0.083 Uiso 1 1 calc R U . . .
H2B H 0.353838 0.314219 0.961573 0.083 Uiso 1 1 calc R U . . .
H2C H 0.433555 0.241067 0.910374 0.083 Uiso 1 1 calc R U . . .
C3 C 0.1830(5) 0.2412(4) 0.7610(4) 0.0601(12) Uani 1 1 d . . . . .
H3A H 0.142959 0.254180 0.701379 0.072 Uiso 1 1 calc R U . . .
H3B H 0.195972 0.169624 0.753004 0.072 Uiso 1 1 calc R U . . .
H3C H 0.116255 0.242776 0.804203 0.072 Uiso 1 1 calc R U . . .
C4 C 0.7871(7) 0.5478(5) 0.8964(4) 0.0855(18) Uani 1 1 d . . . . .
H4A H 0.710374 0.531154 0.933676 0.103 Uiso 1 1 calc R U . . .
H4B H 0.881820 0.568780 0.936406 0.103 Uiso 1 1 calc R U . . .
H4C H 0.782151 0.608217 0.864689 0.103 Uiso 1 1 calc R U . . .
C5 C 0.7989(8) 0.3169(6) 0.8753(5) 0.102(2) Uani 1 1 d . . . . .
H5A H 0.723174 0.293169 0.912493 0.122 Uiso 1 1 calc R U . . .
H5B H 0.798944 0.253904 0.832277 0.122 Uiso 1 1 calc R U . . .
H5C H 0.893533 0.349033 0.915853 0.122 Uiso 1 1 calc R U . . .
C6 C 0.9138(6) 0.4620(5) 0.7398(4) 0.0796(16) Uani 1 1 d . . . . .
H6A H 0.905152 0.399468 0.693165 0.096 Uiso 1 1 calc R U . . .
H6B H 0.907661 0.523193 0.709567 0.096 Uiso 1 1 calc R U . . .
H6C H 1.007330 0.483755 0.781285 0.096 Uiso 1 1 calc R U . . .
C7 C 0.4683(7) 0.0854(4) 0.7152(4) 0.0722(15) Uani 1 1 d . . . . .
H7A H 0.548994 0.107450 0.767201 0.087 Uiso 1 1 calc R U . . .
H7B H 0.377994 0.080215 0.738218 0.087 Uiso 1 1 calc R U . . .
H7C H 0.460050 0.014127 0.681006 0.087 Uiso 1 1 calc R U . . .
C8 C 0.3417(6) 0.1415(4) 0.5377(3) 0.0622(13) Uani 1 1 d . . . . .
H8A H 0.354465 0.193403 0.494757 0.075 Uiso 1 1 calc R U . . .
H8B H 0.334741 0.069655 0.505339 0.075 Uiso 1 1 calc R U . . .
H8C H 0.252686 0.135743 0.562550 0.075 Uiso 1 1 calc R U . . .
C9 C 0.6679(6) 0.1852(4) 0.5834(4) 0.0757(16) Uani 1 1 d . . . . .
H9A H 0.753982 0.210211 0.631855 0.091 Uiso 1 1 calc R U . . .
H9B H 0.651856 0.109853 0.554738 0.091 Uiso 1 1 calc R U . . .
H9C H 0.682521 0.232422 0.536700 0.091 Uiso 1 1 calc R U . . .
C10 C 0.7314(4) 0.6702(3) 0.6419(2) 0.0345(7) Uani 1 1 d . . . . .
C11 C 0.5802(5) 0.7376(3) 0.7393(3) 0.0454(9) Uani 1 1 d . . . . .
H11 H 0.535540 0.656813 0.734834 0.054 Uiso 1 1 calc R U . . .
C12 C 0.6187(6) 0.7865(4) 0.8422(4) 0.0691(14) Uani 1 1 d . . . . .
H12A H 0.529804 0.772643 0.868502 0.083 Uiso 1 1 calc R U . . .
H12B H 0.682225 0.752631 0.873679 0.083 Uiso 1 1 calc R U . . .
H12C H 0.668768 0.865407 0.850085 0.083 Uiso 1 1 calc R U . . .
C13 C 0.4677(6) 0.7753(4) 0.6867(4) 0.0670(14) Uani 1 1 d . . . . .
H13A H 0.383099 0.762459 0.717332 0.080 Uiso 1 1 calc R U . . .
H13B H 0.509460 0.853411 0.685107 0.080 Uiso 1 1 calc R U . . .
H13C H 0.438036 0.734269 0.623603 0.080 Uiso 1 1 calc R U . . .
C14 C 0.9188(4) 0.6467(3) 0.5525(3) 0.0436(9) Uani 1 1 d . . . . .
H14 H 0.860203 0.568828 0.552030 0.052 Uiso 1 1 calc R U . . .
C15 C 1.0772(5) 0.6602(4) 0.5901(4) 0.0604(12) Uani 1 1 d . . . . .
H15A H 1.111070 0.613596 0.548093 0.072 Uiso 1 1 calc R U . . .
H15B H 1.137947 0.736616 0.595114 0.072 Uiso 1 1 calc R U . . .
H15C H 1.083435 0.638846 0.651004 0.072 Uiso 1 1 calc R U . . .
C16 C 0.8973(6) 0.6660(4) 0.4531(3) 0.0583(12) Uani 1 1 d . . . . .
H16A H 0.937278 0.620113 0.414849 0.070 Uiso 1 1 calc R U . . .
H16B H 0.793545 0.647136 0.429645 0.070 Uiso 1 1 calc R U . . .
H16C H 0.947273 0.742986 0.450984 0.070 Uiso 1 1 calc R U . . .
C17 C 0.8220(5) 0.8534(3) 0.6958(3) 0.0458(9) Uani 1 1 d . . . . .
C18 C 0.9159(5) 0.8291(3) 0.6445(3) 0.0481(10) Uani 1 1 d . . . . .
C19 C 0.8284(6) 0.9642(3) 0.7433(4) 0.0693(14) Uani 1 1 d . . . . .
H19A H 0.745443 0.955967 0.775089 0.083 Uiso 1 1 calc R U . . .
H19B H 0.918630 0.997015 0.788116 0.083 Uiso 1 1 calc R U . . .
H19C H 0.825363 1.011567 0.697427 0.083 Uiso 1 1 calc R U . . .
C20 C 1.0525(6) 0.9046(4) 0.6221(4) 0.0732(15) Uani 1 1 d . . . . .
H20A H 1.096504 0.862232 0.583517 0.088 Uiso 1 1 calc R U . . .
H20B H 1.029302 0.958795 0.588900 0.088 Uiso 1 1 calc R U . . .
H20C H 1.120741 0.941850 0.679262 0.088 Uiso 1 1 calc R U . . .
H1 H 0.398(3) 0.536(2) 0.5353(19) 0.005(6) 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
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Mn Mn 0.3368 0.7283
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
C C 0.0033 0.0016
;
International Tables for Crystallography
(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
_geom_angle_publ_flag
C10 Mn1 Si1 115.74(10) . . ?
C10 Mn1 Mn1 110.02(10) . 2_666 ?
Si1 Mn1 Mn1 134.23(4) . 2_666 ?
C10 Mn1 H1 104.4(7) . . ?
Si1 Mn1 H1 119.8(8) . . ?
Mn1 Mn1 H1 45.3(8) 2_666 . ?
Si4 Si1 Si3 104.20(6) . . ?
Si4 Si1 Si2 105.50(6) . . ?
Si3 Si1 Si2 104.21(6) . . ?
Si4 Si1 Mn1 112.26(6) . . ?
Si3 Si1 Mn1 106.68(5) . . ?
Si2 Si1 Mn1 122.34(5) . . ?
C2 Si2 C3 103.8(2) . . ?
C2 Si2 C1 107.3(2) . . ?
C3 Si2 C1 107.2(2) . . ?
C2 Si2 Si1 113.38(17) . . ?
C3 Si2 Si1 114.86(16) . . ?
C1 Si2 Si1 109.78(16) . . ?
C6 Si3 C4 106.6(3) . . ?
C6 Si3 C5 105.6(3) . . ?
C4 Si3 C5 106.5(3) . . ?
C6 Si3 Si1 109.3(2) . . ?
C4 Si3 Si1 111.0(2) . . ?
C5 Si3 Si1 117.1(2) . . ?
C8 Si4 C7 106.4(2) . . ?
C8 Si4 C9 106.8(3) . . ?
C7 Si4 C9 107.0(3) . . ?
C8 Si4 Si1 110.87(14) . . ?
C7 Si4 Si1 114.42(18) . . ?
C9 Si4 Si1 111.00(17) . . ?
C10 N1 C17 110.3(3) . . ?
C10 N1 C11 120.6(3) . . ?
C17 N1 C11 129.0(3) . . ?
C10 N2 C18 111.4(3) . . ?
C10 N2 C14 120.5(3) . . ?
C18 N2 C14 128.0(3) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si2 C3 H3A 109.5 . . ?
Si2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si3 C4 H4A 109.5 . . ?
Si3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si3 C5 H5A 109.5 . . ?
Si3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si3 C6 H6A 109.5 . . ?
Si3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si4 C7 H7A 109.5 . . ?
Si4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si4 C8 H8A 109.5 . . ?
Si4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si4 C9 H9A 109.5 . . ?
Si4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 N1 104.8(3) . . ?
N2 C10 Mn1 128.7(2) . . ?
N1 C10 Mn1 125.1(3) . . ?
N1 C11 C13 111.1(4) . . ?
N1 C11 C12 112.3(4) . . ?
C13 C11 C12 113.2(4) . . ?
N1 C11 H11 106.6 . . ?
C13 C11 H11 106.6 . . ?
C12 C11 H11 106.6 . . ?
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 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C14 C16 111.0(3) . . ?
N2 C14 C15 112.7(4) . . ?
C16 C14 C15 112.6(4) . . ?
N2 C14 H14 106.7 . . ?
C16 C14 H14 106.7 . . ?
C15 C14 H14 106.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 N1 107.4(3) . . ?
C18 C17 C19 128.2(4) . . ?
N1 C17 C19 124.4(4) . . ?
C17 C18 N2 106.0(3) . . ?
C17 C18 C20 128.9(4) . . ?
N2 C18 C20 125.0(4) . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
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 C10 2.194(4) . ?
Mn1 Si1 2.5872(13) . ?
Mn1 Mn1 2.7972(14) 2_666 ?
Mn1 H1 1.91(3) . ?
Si1 Si4 2.3329(16) . ?
Si1 Si3 2.3391(18) . ?
Si1 Si2 2.3483(16) . ?
Si2 C2 1.872(5) . ?
Si2 C3 1.873(5) . ?
Si2 C1 1.877(4) . ?
Si3 C6 1.870(5) . ?
Si3 C4 1.877(5) . ?
Si3 C5 1.882(5) . ?
Si4 C8 1.880(5) . ?
Si4 C7 1.887(5) . ?
Si4 C9 1.891(5) . ?
N1 C10 1.361(4) . ?
N1 C17 1.387(5) . ?
N1 C11 1.466(5) . ?
N2 C10 1.345(4) . ?
N2 C18 1.394(5) . ?
N2 C14 1.482(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C3 H3C 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C11 C13 1.503(6) . ?
C11 C12 1.518(6) . ?
C11 H11 0.9900 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 C16 1.515(6) . ?
C14 C15 1.523(6) . ?
C14 H14 0.9900 . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 H15C 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 C18 1.345(6) . ?
C17 C19 1.496(5) . ?
C18 C20 1.489(6) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C18 N2 C10 N1 -2.1(4) . . . . ?
C14 N2 C10 N1 -179.8(3) . . . . ?
C18 N2 C10 Mn1 164.9(3) . . . . ?
C14 N2 C10 Mn1 -12.8(5) . . . . ?
C17 N1 C10 N2 2.1(4) . . . . ?
C11 N1 C10 N2 -179.8(3) . . . . ?
C17 N1 C10 Mn1 -165.5(3) . . . . ?
C11 N1 C10 Mn1 12.6(5) . . . . ?
C10 N1 C11 C13 -102.3(4) . . . . ?
C17 N1 C11 C13 75.4(5) . . . . ?
C10 N1 C11 C12 129.7(4) . . . . ?
C17 N1 C11 C12 -52.5(6) . . . . ?
C10 N2 C14 C16 104.6(4) . . . . ?
C18 N2 C14 C16 -72.7(5) . . . . ?
C10 N2 C14 C15 -128.1(4) . . . . ?
C18 N2 C14 C15 54.6(5) . . . . ?
C10 N1 C17 C18 -1.3(5) . . . . ?
C11 N1 C17 C18 -179.2(4) . . . . ?
C10 N1 C17 C19 176.6(4) . . . . ?
C11 N1 C17 C19 -1.3(7) . . . . ?
N1 C17 C18 N2 -0.1(5) . . . . ?
C19 C17 C18 N2 -177.9(5) . . . . ?
N1 C17 C18 C20 178.9(5) . . . . ?
C19 C17 C18 C20 1.1(9) . . . . ?
C10 N2 C18 C17 1.4(5) . . . . ?
C14 N2 C18 C17 178.9(4) . . . . ?
C10 N2 C18 C20 -177.6(5) . . . . ?
C14 N2 C18 C20 -0.1(7) . . . . ?
