#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/23/7112394.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_7112394
loop_
_publ_author_name
'El Ghachtouli, Sanae'
'Ching, H. Y. Vincent'
'Lassalle-Kaiser, Benedikt'
'Guillot, Régis'
'Leto, Domenick F.'
'Chattopadhyay, Swarup'
'Jackson, Timothy A.'
'Dorlet, Pierre'
'Anxolabéhère-Mallart, Elodie'
_publ_section_title
;
 Electrochemical formation of Mn(III)-peroxo complexes supported by
 pentadentate amino pyridine and imidazole ligands.
;
_journal_issue                   50
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5696
_journal_page_last               5698
_journal_paper_doi               10.1039/c3cc41300d
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         '(C18 H28 Cl Mn N8), (F6 P), 0.5(C H4 O) '
_chemical_formula_sum            'C18.5 H30 Cl F6 Mn N8 O0.5 P'
_chemical_formula_weight         607.86
_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_creation_method           SHELXL-97
_cell_angle_alpha                97.998(3)
_cell_angle_beta                 98.664(3)
_cell_angle_gamma                115.391(2)
_cell_formula_units_Z            2
_cell_length_a                   9.5092(12)
_cell_length_b                   10.8499(13)
_cell_length_c                   14.270(3)
_cell_measurement_reflns_used    7418
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      26.12
_cell_measurement_theta_min      4.26
_cell_volume                     1280.2(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.801
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0300
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24974
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         38.82
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.753
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.821
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.369
_refine_diff_density_min         -1.153
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         11793
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0602
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0890P)²+0.7313P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1414
_reflns_number_gt                9887
_reflns_number_total             11793
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc41300d.txt
_cod_data_source_block           769GuillotICMMO
_cod_original_cell_volume        1280.2(3)
_cod_original_formula_sum        'C18.50 H30 Cl F6 Mn N8 O0.50 P'
_cod_database_code               7112394
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
C100 C 0.1310(4) 0.1110(4) 0.1334(3) 0.0293(7) Uani 0.50 1 d PD
H10A H 0.2371 0.1716 0.1283 0.044 Uiso 0.50 1 calc PR
H10B H 0.1363 0.0512 0.1760 0.044 Uiso 0.50 1 calc PR
H10C H 0.0837 0.1665 0.1593 0.044 Uiso 0.50 1 calc PR
O1 O 0.0467(3) 0.0370(3) 0.05009(19) 0.0285(6) Uani 0.50 1 d PD
H1 H 0.012(6) -0.0508(17) 0.048(3) 0.043 Uiso 0.50 1 d PD
C1 C 0.53140(15) 0.29354(13) 0.30594(10) 0.0138(2) Uani 1 1 d .
H1A H 0.4263 0.2477 0.2617 0.017 Uiso 1 1 calc R
H1B H 0.5192 0.3241 0.3700 0.017 Uiso 1 1 calc R
C2 C 0.59790(15) 0.18914(13) 0.31022(9) 0.0137(2) Uani 1 1 d .
H2A H 0.6985 0.2322 0.3588 0.016 Uiso 1 1 calc R
H2B H 0.5236 0.1086 0.3299 0.016 Uiso 1 1 calc R
C3 C 0.77153(14) 0.52263(13) 0.35151(9) 0.0134(2) Uani 1 1 d .
H3A H 0.8108 0.4767 0.3946 0.016 Uiso 1 1 calc R
H3B H 0.7371 0.5813 0.3894 0.016 Uiso 1 1 calc R
C4 C 0.90168(14) 0.61020(13) 0.30635(9) 0.01281(19) Uani 1 1 d .
C5 C 1.04778(16) 0.67962(14) 0.20335(10) 0.0160(2) Uani 1 1 d .
H5 H 1.0832 0.6836 0.1460 0.019 Uiso 1 1 calc R
C6 C 1.12709(16) 0.77491(14) 0.28976(11) 0.0171(2) Uani 1 1 d .
H6 H 1.2253 0.8545 0.3025 0.021 Uiso 1 1 calc R
C7 C 1.06958(17) 0.79526(16) 0.45742(11) 0.0200(2) Uani 1 1 d .
H7A H 0.9927 0.8274 0.4689 0.030 Uiso 1 1 calc R
H7B H 1.1749 0.8734 0.4756 0.030 Uiso 1 1 calc R
H7C H 1.0654 0.7281 0.4956 0.030 Uiso 1 1 calc R
C8 C 0.54209(15) 0.48027(13) 0.22667(9) 0.0137(2) Uani 1 1 d .
H8A H 0.6105 0.5786 0.2308 0.016 Uiso 1 1 calc R
H8B H 0.4581 0.4732 0.2599 0.016 Uiso 1 1 calc R
C9 C 0.47034(14) 0.40384(13) 0.12256(9) 0.01301(19) Uani 1 1 d .
C10 C 0.43924(16) 0.28379(14) -0.01998(10) 0.0168(2) Uani 1 1 d .
H10 H 0.4542 0.2305 -0.0708 0.020 Uiso 1 1 calc R
C11 C 0.32113(16) 0.32436(15) -0.02641(10) 0.0178(2) Uani 1 1 d .
H11 H 0.2421 0.3044 -0.0815 0.021 Uiso 1 1 calc R
C12 C 0.24402(16) 0.46656(17) 0.09186(12) 0.0203(3) Uani 1 1 d .
H12A H 0.2996 0.5346 0.1524 0.031 Uiso 1 1 calc R
H12B H 0.1441 0.3964 0.0989 0.031 Uiso 1 1 calc R
H12C H 0.2239 0.5120 0.0421 0.031 Uiso 1 1 calc R
C13 C 0.47254(16) 0.03479(14) 0.14878(11) 0.0180(2) Uani 1 1 d .
H13A H 0.4909 0.0110 0.0860 0.027 Uiso 1 1 calc R
H13B H 0.3963 0.0709 0.1425 0.027 Uiso 1 1 calc R
H13C H 0.4315 -0.0473 0.1748 0.027 Uiso 1 1 calc R
C14 C 0.73664(15) 0.08150(13) 0.22762(10) 0.0149(2) Uani 1 1 d .
H14A H 0.7356 0.0327 0.1650 0.018 Uiso 1 1 calc R
H14B H 0.7048 0.0149 0.2687 0.018 Uiso 1 1 calc R
C15 C 0.90100(14) 0.19768(13) 0.27376(9) 0.01313(19) Uani 1 1 d .
C16 C 1.10035(15) 0.40549(15) 0.32085(10) 0.0166(2) Uani 1 1 d .
H16 H 1.1617 0.5019 0.3309 0.020 Uiso 1 1 calc R
C17 C 1.15264(15) 0.31661(16) 0.35368(11) 0.0192(2) Uani 1 1 d .
H17 H 1.2545 0.3404 0.3894 0.023 Uiso 1 1 calc R
C18 C 1.02410(19) 0.05260(18) 0.33465(14) 0.0254(3) Uani 1 1 d .
H18A H 0.9226 -0.0100 0.3448 0.038 Uiso 1 1 calc R
H18B H 1.1077 0.0708 0.3897 0.038 Uiso 1 1 calc R
H18C H 1.0423 0.0105 0.2770 0.038 Uiso 1 1 calc R
N1 N 0.63667(12) 0.41745(11) 0.27289(8) 0.01189(17) Uani 1 1 d .
N2 N 0.62435(12) 0.14189(11) 0.21484(8) 0.01274(17) Uani 1 1 d .
N3 N 0.90565(13) 0.57555(12) 0.21431(8) 0.01371(18) Uani 1 1 d .
N4 N 0.53275(13) 0.33444(12) 0.07379(8) 0.01417(18) Uani 1 1 d .
N5 N 0.94185(13) 0.32968(12) 0.27030(9) 0.01504(19) Uani 1 1 d .
N6 N 1.03274(13) 0.72994(12) 0.35463(9) 0.01454(18) Uani 1 1 d .
N7 N 0.34222(13) 0.40049(12) 0.06464(9) 0.01483(19) Uani 1 1 d .
N8 N 1.02361(13) 0.18406(13) 0.32315(9) 0.01603(19) Uani 1 1 d .
Cl Cl 0.81753(4) 0.24081(4) 0.01950(2) 0.01834(7) Uani 1 1 d .
Mn Mn 0.75597(2) 0.343915(19) 0.156166(14) 0.01127(5) Uani 1 1 d .
F1 F 0.44158(14) 0.70597(12) 0.31322(8) 0.0273(2) Uani 1 1 d .
F2 F 0.52359(13) 0.63507(11) 0.44371(9) 0.0269(2) Uani 1 1 d .
F3 F 0.70332(13) 0.81323(13) 0.39327(10) 0.0321(2) Uani 1 1 d .
F4 F 0.55173(16) 0.92683(11) 0.40424(9) 0.0324(2) Uani 1 1 d .
F5 F 0.63284(12) 0.85675(12) 0.53477(8) 0.0272(2) Uani 1 1 d .
F6 F 0.37151(11) 0.74692(11) 0.45513(8) 0.02366(19) Uani 1 1 d .
P P 0.53632(4) 0.78120(4) 0.42379(3) 0.01471(7) Uani 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 0.0031 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'
F F 0.0176 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1026 0.0946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1495 0.1591 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3385 0.7311 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0109 0.0061 '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
O1 C100 H10A 109.5 . .
O1 C100 H10B 109.5 . .
H10A C100 H10B 109.5 . .
O1 C100 H10C 109.5 . .
H10A C100 H10C 109.5 . .
H10B C100 H10C 109.5 . .
C100 O1 O1 174.7(4) . 2
C100 O1 H1 111(2) . .
O1 O1 H1 74(2) 2 .
N1 C1 C2 112.10(10) . .
N1 C1 H1A 109.2 . .
C2 C1 H1A 109.2 . .
N1 C1 H1B 109.2 . .
C2 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
N2 C2 C1 111.76(10) . .
N2 C2 H2A 109.3 . .
C1 C2 H2A 109.3 . .
N2 C2 H2B 109.3 . .
C1 C2 H2B 109.3 . .
H2A C2 H2B 107.9 . .
N1 C3 C4 108.22(10) . .
N1 C3 H3A 110.1 . .
C4 C3 H3A 110.1 . .
N1 C3 H3B 110.1 . .
C4 C3 H3B 110.1 . .
H3A C3 H3B 108.4 . .
N3 C4 N6 111.32(11) . .
N3 C4 C3 123.86(11) . .
N6 C4 C3 124.75(12) . .
C6 C5 N3 109.29(12) . .
C6 C5 H5 125.4 . .
N3 C5 H5 125.4 . .
C5 C6 N6 106.33(11) . .
C5 C6 H6 126.8 . .
N6 C6 H6 126.8 . .
N6 C7 H7A 109.5 . .
N6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
N6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 C9 108.63(10) . .
N1 C8 H8A 110.0 . .
C9 C8 H8A 110.0 . .
N1 C8 H8B 110.0 . .
C9 C8 H8B 110.0 . .
H8A C8 H8B 108.3 . .
N4 C9 N7 111.22(12) . .
N4 C9 C8 122.64(11) . .
N7 C9 C8 126.07(12) . .
C11 C10 N4 109.18(13) . .
C11 C10 H10 125.4 . .
N4 C10 H10 125.4 . .
C10 C11 N7 106.46(12) . .
C10 C11 H11 126.8 . .
N7 C11 H11 126.8 . .
N7 C12 H12A 109.5 . .
N7 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N7 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N2 C13 H13A 109.5 . .
N2 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N2 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N2 C14 C15 108.61(10) . .
N2 C14 H14A 110.0 . .
C15 C14 H14A 110.0 . .
N2 C14 H14B 110.0 . .
C15 C14 H14B 110.0 . .
H14A C14 H14B 108.3 . .
N5 C15 N8 111.73(11) . .
N5 C15 C14 122.41(11) . .
N8 C15 C14 125.86(12) . .
C17 C16 N5 109.33(12) . .
C17 C16 H16 125.3 . .
N5 C16 H16 125.3 . .
C16 C17 N8 106.19(11) . .
C16 C17 H17 126.9 . .
N8 C17 H17 126.9 . .
N8 C18 H18A 109.5 . .
N8 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N8 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C3 N1 C8 110.85(10) . .
C3 N1 C1 112.87(10) . .
C8 N1 C1 110.23(10) . .
C3 N1 Mn 105.26(7) . .
C8 N1 Mn 108.79(8) . .
C1 N1 Mn 108.63(8) . .
C13 N2 C14 108.53(10) . .
C13 N2 C2 110.81(10) . .
C14 N2 C2 110.40(10) . .
C13 N2 Mn 114.46(8) . .
C14 N2 Mn 105.63(7) . .
C2 N2 Mn 106.87(7) . .
C4 N3 C5 105.68(11) . .
C4 N3 Mn 109.91(8) . .
C5 N3 Mn 136.92(9) . .
C9 N4 C10 105.94(11) . .
C9 N4 Mn 115.60(8) . .
C10 N4 Mn 138.26(10) . .
C15 N5 C16 105.72(11) . .
C15 N5 Mn 110.93(8) . .
C16 N5 Mn 140.88(10) . .
C4 N6 C6 107.37(11) . .
C4 N6 C7 125.82(12) . .
C6 N6 C7 126.77(11) . .
C9 N7 C11 107.21(12) . .
C9 N7 C12 127.07(12) . .
C11 N7 C12 125.72(12) . .
C15 N8 C17 107.03(11) . .
C15 N8 C18 126.20(12) . .
C17 N8 C18 126.56(12) . .
N4 Mn N3 101.17(4) . .
N4 Mn N5 163.96(4) . .
N3 Mn N5 83.88(4) . .
N4 Mn N2 94.97(4) . .
N3 Mn N2 138.79(4) . .
N5 Mn N2 71.98(4) . .
N4 Mn N1 73.17(4) . .
N3 Mn N1 72.36(4) . .
N5 Mn N1 94.27(4) . .
N2 Mn N1 76.60(4) . .
N4 Mn Cl 96.05(3) . .
N3 Mn Cl 116.51(3) . .
N5 Mn Cl 95.20(3) . .
N2 Mn Cl 98.90(3) . .
N1 Mn Cl 167.68(3) . .
F4 P F1 90.17(7) . .
F4 P F6 91.02(7) . .
F1 P F6 90.56(6) . .
F4 P F5 89.95(7) . .
F1 P F5 179.53(6) . .
F6 P F5 89.88(6) . .
F4 P F2 179.15(7) . .
F1 P F2 90.14(6) . .
F6 P F2 89.77(6) . .
F5 P F2 89.73(6) . .
F4 P F3 90.20(7) . .
F1 P F3 89.82(7) . .
F6 P F3 178.72(6) . .
F5 P F3 89.73(6) . .
F2 P F3 89.01(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C100 O1 1.264(5) .
C100 H10A 0.9600 .
C100 H10B 0.9600 .
C100 H10C 0.9600 .
O1 O1 1.471(6) 2
O1 H1 0.859(18) .
C1 N1 1.4820(16) .
C1 C2 1.5194(19) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 N2 1.4827(17) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 N1 1.4699(16) .
C3 C4 1.5007(17) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 N3 1.3258(17) .
C4 N6 1.3488(16) .
C5 C6 1.362(2) .
C5 N3 1.3893(16) .
C5 H5 0.9300 .
C6 N6 1.3785(18) .
C6 H6 0.9300 .
C7 N6 1.4559(19) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 N1 1.4767(17) .
C8 C9 1.4922(18) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 N4 1.3287(18) .
C9 N7 1.3487(17) .
C10 C11 1.367(2) .
C10 N4 1.3788(17) .
C10 H10 0.9300 .
C11 N7 1.3754(19) .
C11 H11 0.9300 .
C12 N7 1.4638(19) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 N2 1.4729(16) .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 N2 1.4756(17) .
C14 C15 1.4949(17) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 N5 1.3240(17) .
C15 N8 1.3444(17) .
C16 C17 1.365(2) .
C16 N5 1.3830(17) .
C16 H16 0.9300 .
C17 N8 1.3838(18) .
C17 H17 0.9300 .
C18 N8 1.460(2) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
N1 Mn 2.3820(11) .
N2 Mn 2.3550(11) .
N3 Mn 2.2421(11) .
N4 Mn 2.2194(11) .
N5 Mn 2.2885(12) .
Cl Mn 2.3866(5) .
F1 P 1.5970(11) .
F2 P 1.6063(10) .
F3 P 1.6155(11) .
F4 P 1.5913(11) .
F5 P 1.6056(11) .
F6 P 1.5975(10) .
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
N1 C1 C2 N2 -57.00(14)
N1 C3 C4 N3 -14.09(17)
N1 C3 C4 N6 169.23(12)
N3 C5 C6 N6 -0.39(16)
N1 C8 C9 N4 -24.20(16)
N1 C8 C9 N7 159.16(11)
N4 C10 C11 N7 -0.18(15)
N2 C14 C15 N5 -21.23(18)
N2 C14 C15 N8 158.47(13)
N5 C16 C17 N8 -0.32(16)
C4 C3 N1 C8 -78.42(13)
C4 C3 N1 C1 157.37(10)
C4 C3 N1 Mn 39.04(11)
C9 C8 N1 C3 149.94(10)
C9 C8 N1 C1 -84.36(12)
C9 C8 N1 Mn 34.66(11)
C2 C1 N1 C3 -81.70(13)
C2 C1 N1 C8 153.75(11)
C2 C1 N1 Mn 34.64(12)
C15 C14 N2 C13 166.33(11)
C15 C14 N2 C2 -72.03(13)
C15 C14 N2 Mn 43.15(11)
C1 C2 N2 C13 -79.00(13)
C1 C2 N2 C14 160.72(10)
C1 C2 N2 Mn 46.32(11)
N6 C4 N3 C5 -0.05(15)
C3 C4 N3 C5 -177.12(12)
N6 C4 N3 Mn 155.27(9)
C3 C4 N3 Mn -21.80(15)
C6 C5 N3 C4 0.28(16)
C6 C5 N3 Mn -144.63(12)
N7 C9 N4 C10 -0.23(14)
C8 C9 N4 C10 -177.32(11)
N7 C9 N4 Mn 175.51(8)
C8 C9 N4 Mn -1.59(15)
C11 C10 N4 C9 0.25(15)
C11 C10 N4 Mn -173.97(10)
N8 C15 N5 C16 -0.18(16)
C14 C15 N5 C16 179.55(12)
N8 C15 N5 Mn 165.89(9)
C14 C15 N5 Mn -14.37(16)
C17 C16 N5 C15 0.32(16)
C17 C16 N5 Mn -158.82(12)
N3 C4 N6 C6 -0.19(16)
C3 C4 N6 C6 176.85(12)
N3 C4 N6 C7 -177.78(13)
C3 C4 N6 C7 -0.7(2)
C5 C6 N6 C4 0.35(16)
C5 C6 N6 C7 177.91(13)
N4 C9 N7 C11 0.12(14)
C8 C9 N7 C11 177.09(12)
N4 C9 N7 C12 -179.05(12)
C8 C9 N7 C12 -2.1(2)
C10 C11 N7 C9 0.04(15)
C10 C11 N7 C12 179.23(12)
N5 C15 N8 C17 -0.01(16)
C14 C15 N8 C17 -179.74(13)
N5 C15 N8 C18 -175.03(14)
C14 C15 N8 C18 5.2(2)
C16 C17 N8 C15 0.21(16)
C16 C17 N8 C18 175.20(15)
C9 N4 Mn N3 -51.27(10)
C10 N4 Mn N3 122.57(13)
C9 N4 Mn N5 55.8(2)
C10 N4 Mn N5 -130.33(17)
C9 N4 Mn N2 90.63(9)
C10 N4 Mn N2 -95.54(14)
C9 N4 Mn N1 16.25(9)
C10 N4 Mn N1 -169.91(14)
C9 N4 Mn Cl -169.85(9)
C10 N4 Mn Cl 3.98(14)
C4 N3 Mn N4 100.06(9)
C5 N3 Mn N4 -116.00(14)
C4 N3 Mn N5 -64.54(9)
C5 N3 Mn N5 79.40(14)
C4 N3 Mn N2 -11.02(12)
C5 N3 Mn N2 132.92(13)
C4 N3 Mn N1 31.93(8)
C5 N3 Mn N1 175.87(14)
C4 N3 Mn Cl -157.31(8)
C5 N3 Mn Cl -13.37(15)
C15 N5 Mn N4 65.4(2)
C16 N5 Mn N4 -136.12(17)
C15 N5 Mn N3 174.86(10)
C16 N5 Mn N3 -26.68(15)
C15 N5 Mn N2 28.71(9)
C16 N5 Mn N2 -172.83(16)
C15 N5 Mn N1 103.13(9)
C16 N5 Mn N1 -98.41(16)
C15 N5 Mn Cl -68.98(9)
C16 N5 Mn Cl 89.49(15)
C13 N2 Mn N4 31.51(10)
C14 N2 Mn N4 150.84(8)
C2 N2 Mn N4 -91.58(8)
C13 N2 Mn N3 144.75(9)
C14 N2 Mn N3 -95.92(9)
C2 N2 Mn N3 21.66(11)
C13 N2 Mn N5 -158.04(10)
C14 N2 Mn N5 -38.71(8)
C2 N2 Mn N5 78.88(8)
C13 N2 Mn N1 102.88(10)
C14 N2 Mn N1 -137.79(8)
C2 N2 Mn N1 -20.21(7)
C13 N2 Mn Cl -65.43(9)
C14 N2 Mn Cl 53.90(8)
C2 N2 Mn Cl 171.49(7)
C3 N1 Mn N4 -146.88(8)
C8 N1 Mn N4 -28.03(7)
C1 N1 Mn N4 91.98(8)
C3 N1 Mn N3 -38.90(8)
C8 N1 Mn N3 79.94(8)
C1 N1 Mn N3 -160.05(8)
C3 N1 Mn N5 43.29(8)
C8 N1 Mn N5 162.14(8)
C1 N1 Mn N5 -77.85(8)
C3 N1 Mn N2 113.62(8)
C8 N1 Mn N2 -127.54(8)
C1 N1 Mn N2 -7.53(7)
C3 N1 Mn Cl -176.58(10)
C8 N1 Mn Cl -57.73(17)
C1 N1 Mn Cl 62.28(17)
