#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:14:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179717 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/19/7001957.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_7001957
loop_
_publ_author_name
'Ruiz, Javier'
'Berros, Ángela'
'Perandones, Bernabé F.'
'Vivanco, Marilín'
_publ_section_title
;
 NHC--manganese(i) complexes as carbene transfer agents
;
_journal_issue                   35
_journal_name_full               'Dalton Transactions'
_journal_page_first              6999
_journal_paper_doi               10.1039/b906450h
_journal_year                    2009
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C23 H18 Mn N4 O3, Cl O4'
_chemical_formula_sum            'C23 H18 Cl Mn N4 O7'
_chemical_formula_weight         552.8
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-05-04T11:35:29-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                79.323(2)
_cell_angle_beta                 80.7630(10)
_cell_angle_gamma                73.7540(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9537(2)
_cell_length_b                   10.4298(2)
_cell_length_c                   13.1270(3)
_cell_measurement_reflns_used    1933
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.71
_cell_measurement_wavelength     0.71073
_cell_volume                     1148.84(4)
_computing_cell_refinement       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_collection       'APPEX2 (BRUKER AXS, 2005)'
_computing_data_reduction        'APPEX2 (BRUKER AXS, 2005)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF96 (Beurskens, 1986)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'BRUKER APPEX-II CCD'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            35256
_diffrn_reflns_theta_full        27.1
_diffrn_reflns_theta_max         27.1
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.745
_exptl_absorpt_correction_T_max  0.94
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            Yello
_exptl_crystal_density_diffrn    1.598
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5040
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.035
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0326P)²+0.8297P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                4476
_reflns_number_total             5040
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906450h.txt
_cod_data_source_block           18
_cod_database_code               7001957
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.76282(3) 0.36305(2) 0.269563(19) 0.01235(7) Uani 1 1 d . . .
N3 N 0.95332(16) 0.22755(14) 0.20432(11) 0.0138(3) Uani 1 1 d . . .
C2 C 0.96687(19) 0.10031(17) 0.19711(13) 0.0139(3) Uani 1 1 d . . .
N1 N 1.10823(16) 0.04480(14) 0.14630(11) 0.0134(3) Uani 1 1 d . . .
C5 C 1.18956(19) 0.14422(17) 0.11821(13) 0.0146(3) Uani 1 1 d . . .
C6 C 1.3458(2) 0.12690(18) 0.05515(14) 0.0187(4) Uani 1 1 d . . .
H6A H 1.3643 0.2139 0.0285 0.028 Uiso 1 1 calc R . .
H6B H 1.3483 0.0803 -0.0019 0.028 Uiso 1 1 calc R . .
H6C H 1.4255 0.0753 0.0983 0.028 Uiso 1 1 calc R . .
C4 C 1.0922(2) 0.25510(17) 0.15492(13) 0.0153(3) Uani 1 1 d . . .
N6 N 0.77314(16) 0.22187(14) 0.40104(11) 0.0133(3) Uani 1 1 d . . .
C7 C 0.68641(19) 0.13164(17) 0.42919(13) 0.0166(3) Uani 1 1 d . . .
H7 H 0.6162 0.1294 0.3849 0.02 Uiso 1 1 calc R . .
C8 C 0.6976(2) 0.04242(18) 0.52111(14) 0.0181(4) Uani 1 1 d . . .
H8 H 0.6373 -0.0197 0.5376 0.022 Uiso 1 1 calc R . .
C9 C 0.7994(2) 0.04638(18) 0.58845(14) 0.0194(4) Uani 1 1 d . . .
H9 H 0.806 -0.0109 0.6519 0.023 Uiso 1 1 calc R . .
C10 C 0.8916(2) 0.13722(17) 0.55996(13) 0.0168(3) Uani 1 1 d . . .
H10 H 0.9617 0.1413 0.6037 0.02 Uiso 1 1 calc R . .
C11 C 0.87762(19) 0.22194(16) 0.46511(13) 0.0143(3) Uani 1 1 d . . .
C12 C 0.97234(19) 0.31984(16) 0.42574(13) 0.0142(3) Uani 1 1 d . . .
C13 C 1.1026(2) 0.32094(17) 0.47047(13) 0.0169(3) Uani 1 1 d . . .
H13 H 1.1354 0.2572 0.5275 0.02 Uiso 1 1 calc R . .
C14 C 1.1829(2) 0.41797(18) 0.42909(14) 0.0190(4) Uani 1 1 d . . .
H14 H 1.2719 0.419 0.4566 0.023 Uiso 1 1 calc R . .
C15 C 1.1282(2) 0.51369(18) 0.34598(14) 0.0186(4) Uani 1 1 d . . .
H15 H 1.178 0.5819 0.3185 0.022 Uiso 1 1 calc R . .
C16 C 0.9988(2) 0.50649(17) 0.30440(13) 0.0163(3) Uani 1 1 d . . .
H16 H 0.9622 0.5714 0.249 0.02 Uiso 1 1 calc R . .
N17 N 0.92385(16) 0.40908(14) 0.34119(11) 0.0135(3) Uani 1 1 d . . .
C18 C 0.77843(19) 0.48293(17) 0.15244(13) 0.0151(3) Uani 1 1 d . . .
O19 O 0.79154(15) 0.55304(12) 0.07473(9) 0.0209(3) Uani 1 1 d . . .
C20 C 0.6219(2) 0.31195(17) 0.21118(14) 0.0183(4) Uani 1 1 d . . .
O21 O 0.52677(16) 0.29024(14) 0.17316(12) 0.0299(3) Uani 1 1 d . . .
C22 C 0.5981(2) 0.47987(17) 0.33277(13) 0.0163(3) Uani 1 1 d . . .
O23 O 0.49053(15) 0.54917(13) 0.37192(10) 0.0238(3) Uani 1 1 d . . .
C31 C 1.16164(19) -0.09269(16) 0.12626(13) 0.0141(3) Uani 1 1 d . . .
C32 C 1.0633(2) -0.14857(17) 0.08703(13) 0.0166(3) Uani 1 1 d . . .
H32 H 0.9629 -0.0979 0.0744 0.02 Uiso 1 1 calc R . .
C33 C 1.1163(2) -0.28081(18) 0.06684(13) 0.0188(4) Uani 1 1 d . . .
H33 H 1.0508 -0.3193 0.041 0.023 Uiso 1 1 calc R . .
C34 C 1.2669(2) -0.35597(18) 0.08507(14) 0.0201(4) Uani 1 1 d . . .
H34 H 1.3028 -0.444 0.0704 0.024 Uiso 1 1 calc R . .
C35 C 1.3634(2) -0.29916(17) 0.12529(14) 0.0193(4) Uani 1 1 d . . .
H35 H 1.464 -0.3497 0.1377 0.023 Uiso 1 1 calc R . .
C36 C 1.3113(2) -0.16769(17) 0.14707(13) 0.0172(3) Uani 1 1 d . . .
H36 H 1.3754 -0.1303 0.1752 0.021 Uiso 1 1 calc R . .
Cl24 Cl 0.32643(5) 0.15641(4) 0.70917(3) 0.01828(10) Uani 1 1 d . . .
O25 O 0.17065(16) 0.14561(15) 0.70391(11) 0.0280(3) Uani 1 1 d . . .
O26 O 0.4285(2) 0.02469(14) 0.73640(13) 0.0402(4) Uani 1 1 d . . .
O27 O 0.32033(17) 0.23957(14) 0.78600(11) 0.0298(3) Uani 1 1 d . . .
O28 O 0.38436(16) 0.21630(15) 0.60827(11) 0.0307(3) Uani 1 1 d . . .
H4 H 1.110(2) 0.3399(19) 0.1504(14) 0.011(4) Uiso 1 1 d . . .
H2 H 0.896(2) 0.052(2) 0.2241(16) 0.017(5) 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 0 '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 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C18 Mn1 C20 87.52(8) . . ?
C18 Mn1 C22 93.46(7) . . ?
C20 Mn1 C22 87.85(8) . . ?
C18 Mn1 N17 95.82(7) . . ?
C20 Mn1 N17 176.40(7) . . ?
C22 Mn1 N17 93.27(7) . . ?
C18 Mn1 N6 173.29(6) . . ?
C20 Mn1 N6 97.27(7) . . ?
C22 Mn1 N6 91.42(7) . . ?
N17 Mn1 N6 79.29(6) . . ?
C18 Mn1 N3 88.57(6) . . ?
C20 Mn1 N3 93.81(7) . . ?
C22 Mn1 N3 177.44(7) . . ?
N17 Mn1 N3 84.96(5) . . ?
N6 Mn1 N3 86.44(5) . . ?
C2 N3 C4 105.82(14) . . ?
C2 N3 Mn1 127.94(12) . . ?
C4 N3 Mn1 126.19(11) . . ?
N3 C2 N1 110.86(15) . . ?
N3 C2 H2 126.6(13) . . ?
N1 C2 H2 122.5(13) . . ?
C2 N1 C5 107.72(13) . . ?
C2 N1 C31 125.21(14) . . ?
C5 N1 C31 127.07(14) . . ?
C4 C5 N1 105.07(14) . . ?
C4 C5 C6 130.13(16) . . ?
N1 C5 C6 124.69(15) . . ?
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 . . ?
C5 C4 N3 110.53(15) . . ?
C5 C4 H4 127.8(11) . . ?
N3 C4 H4 121.6(11) . . ?
C7 N6 C11 118.08(15) . . ?
C7 N6 Mn1 126.42(12) . . ?
C11 N6 Mn1 115.51(11) . . ?
N6 C7 C8 122.61(16) . . ?
N6 C7 H7 118.7 . . ?
C8 C7 H7 118.7 . . ?
C7 C8 C9 119.27(16) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C8 C9 C10 118.92(16) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 118.96(16) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
N6 C11 C10 122.08(15) . . ?
N6 C11 C12 114.30(15) . . ?
C10 C11 C12 123.62(15) . . ?
N17 C12 C13 121.89(16) . . ?
N17 C12 C11 114.82(14) . . ?
C13 C12 C11 123.29(15) . . ?
C14 C13 C12 119.18(16) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 118.88(16) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
C16 C15 C14 119.15(16) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
N17 C16 C15 122.44(16) . . ?
N17 C16 H16 118.8 . . ?
C15 C16 H16 118.8 . . ?
C16 N17 C12 118.30(15) . . ?
C16 N17 Mn1 126.16(12) . . ?
C12 N17 Mn1 114.88(11) . . ?
O19 C18 Mn1 176.04(14) . . ?
O21 C20 Mn1 174.61(15) . . ?
O23 C22 Mn1 176.73(15) . . ?
C32 C31 C36 121.03(15) . . ?
C32 C31 N1 119.69(15) . . ?
C36 C31 N1 119.28(15) . . ?
C31 C32 C33 119.35(16) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C32 C33 C34 120.22(16) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C35 C34 C33 119.78(16) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C36 C35 C34 120.58(16) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C31 119.00(16) . . ?
C35 C36 H36 120.5 . . ?
C31 C36 H36 120.5 . . ?
O27 Cl24 O28 110.06(9) . . ?
O27 Cl24 O26 109.64(9) . . ?
O28 Cl24 O26 109.29(10) . . ?
O27 Cl24 O25 109.34(9) . . ?
O28 Cl24 O25 108.30(8) . . ?
O26 Cl24 O25 110.19(9) . . ?
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 C18 1.8064(18) . ?
Mn1 C20 1.8169(18) . ?
Mn1 C22 1.8234(17) . ?
Mn1 N17 2.0453(14) . ?
Mn1 N6 2.0466(14) . ?
Mn1 N3 2.0665(14) . ?
N3 C2 1.318(2) . ?
N3 C4 1.386(2) . ?
C2 N1 1.358(2) . ?
C2 H2 0.90(2) . ?
N1 C5 1.391(2) . ?
N1 C31 1.439(2) . ?
C5 C4 1.356(2) . ?
C5 C6 1.489(2) . ?
C6 H6A 0.96 . ?
C6 H6B 0.96 . ?
C6 H6C 0.96 . ?
C4 H4 0.933(19) . ?
N6 C7 1.347(2) . ?
N6 C11 1.355(2) . ?
C7 C8 1.379(2) . ?
C7 H7 0.93 . ?
C8 C9 1.381(3) . ?
C8 H8 0.93 . ?
C9 C10 1.388(2) . ?
C9 H9 0.93 . ?
C10 C11 1.388(2) . ?
C10 H10 0.93 . ?
C11 C12 1.476(2) . ?
C12 N17 1.354(2) . ?
C12 C13 1.391(2) . ?
C13 C14 1.383(2) . ?
C13 H13 0.93 . ?
C14 C15 1.386(3) . ?
C14 H14 0.93 . ?
C15 C16 1.384(2) . ?
C15 H15 0.93 . ?
C16 N17 1.346(2) . ?
C16 H16 0.93 . ?
C18 O19 1.150(2) . ?
C20 O21 1.146(2) . ?
C22 O23 1.142(2) . ?
C31 C32 1.387(2) . ?
C31 C36 1.390(2) . ?
C32 C33 1.388(2) . ?
C32 H32 0.93 . ?
C33 C34 1.390(3) . ?
C33 H33 0.93 . ?
C34 C35 1.388(3) . ?
C34 H34 0.93 . ?
C35 C36 1.387(2) . ?
C35 H35 0.93 . ?
C36 H36 0.93 . ?
Cl24 O27 1.4326(13) . ?
Cl24 O28 1.4379(15) . ?
Cl24 O26 1.4389(14) . ?
Cl24 O25 1.4439(14) . ?
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 Mn1 N3 C2 -130.49(15) . . . . ?
C20 Mn1 N3 C2 -43.07(15) . . . . ?
N17 Mn1 N3 C2 133.54(15) . . . . ?
N6 Mn1 N3 C2 54.00(14) . . . . ?
C18 Mn1 N3 C4 46.68(14) . . . . ?
C20 Mn1 N3 C4 134.10(14) . . . . ?
N17 Mn1 N3 C4 -49.29(14) . . . . ?
N6 Mn1 N3 C4 -128.83(14) . . . . ?
C4 N3 C2 N1 0.54(18) . . . . ?
Mn1 N3 C2 N1 178.17(10) . . . . ?
N3 C2 N1 C5 -0.71(19) . . . . ?
N3 C2 N1 C31 179.19(14) . . . . ?
C2 N1 C5 C4 0.56(18) . . . . ?
C31 N1 C5 C4 -179.34(15) . . . . ?
C2 N1 C5 C6 -175.95(16) . . . . ?
C31 N1 C5 C6 4.2(3) . . . . ?
N1 C5 C4 N3 -0.24(19) . . . . ?
C6 C5 C4 N3 176.00(16) . . . . ?
C2 N3 C4 C5 -0.18(19) . . . . ?
Mn1 N3 C4 C5 -177.86(11) . . . . ?
C20 Mn1 N6 C7 -4.20(14) . . . . ?
C22 Mn1 N6 C7 83.81(14) . . . . ?
N17 Mn1 N6 C7 176.87(14) . . . . ?
N3 Mn1 N6 C7 -97.59(13) . . . . ?
C20 Mn1 N6 C11 176.30(12) . . . . ?
C22 Mn1 N6 C11 -95.68(12) . . . . ?
N17 Mn1 N6 C11 -2.63(11) . . . . ?
N3 Mn1 N6 C11 82.91(11) . . . . ?
C11 N6 C7 C8 1.5(2) . . . . ?
Mn1 N6 C7 C8 -177.98(12) . . . . ?
N6 C7 C8 C9 1.2(3) . . . . ?
C7 C8 C9 C10 -2.2(3) . . . . ?
C8 C9 C10 C11 0.5(2) . . . . ?
C7 N6 C11 C10 -3.2(2) . . . . ?
Mn1 N6 C11 C10 176.32(12) . . . . ?
C7 N6 C11 C12 177.37(14) . . . . ?
Mn1 N6 C11 C12 -3.09(17) . . . . ?
C9 C10 C11 N6 2.2(2) . . . . ?
C9 C10 C11 C12 -178.42(15) . . . . ?
N6 C11 C12 N17 10.3(2) . . . . ?
C10 C11 C12 N17 -169.10(15) . . . . ?
N6 C11 C12 C13 -169.09(15) . . . . ?
C10 C11 C12 C13 11.5(2) . . . . ?
N17 C12 C13 C14 1.6(2) . . . . ?
C11 C12 C13 C14 -179.03(15) . . . . ?
C12 C13 C14 C15 1.8(2) . . . . ?
C13 C14 C15 C16 -2.4(3) . . . . ?
C14 C15 C16 N17 -0.5(3) . . . . ?
C15 C16 N17 C12 3.8(2) . . . . ?
C15 C16 N17 Mn1 -166.36(13) . . . . ?
C13 C12 N17 C16 -4.4(2) . . . . ?
C11 C12 N17 C16 176.22(14) . . . . ?
C13 C12 N17 Mn1 166.88(12) . . . . ?
C11 C12 N17 Mn1 -12.52(17) . . . . ?
C18 Mn1 N17 C16 3.54(14) . . . . ?
C22 Mn1 N17 C16 -90.27(14) . . . . ?
N6 Mn1 N17 C16 178.90(14) . . . . ?
N3 Mn1 N17 C16 91.58(13) . . . . ?
C18 Mn1 N17 C12 -166.92(12) . . . . ?
C22 Mn1 N17 C12 99.26(12) . . . . ?
N6 Mn1 N17 C12 8.43(11) . . . . ?
N3 Mn1 N17 C12 -78.89(11) . . . . ?
C2 N1 C31 C32 46.6(2) . . . . ?
C5 N1 C31 C32 -133.49(17) . . . . ?
C2 N1 C31 C36 -133.10(17) . . . . ?
C5 N1 C31 C36 46.8(2) . . . . ?
C36 C31 C32 C33 -1.0(3) . . . . ?
N1 C31 C32 C33 179.31(15) . . . . ?
C31 C32 C33 C34 -0.5(3) . . . . ?
C32 C33 C34 C35 1.1(3) . . . . ?
C33 C34 C35 C36 -0.3(3) . . . . ?
C34 C35 C36 C31 -1.1(3) . . . . ?
C32 C31 C36 C35 1.8(3) . . . . ?
N1 C31 C36 C35 -178.50(15) . . . . ?
