#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:19:56 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180333 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/02/7200263.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_7200263
loop_
_publ_author_name
'Ma, Lu-Fang'
'Wang, Li-Ya'
'Wang, Yao-Yu'
'Du, Miao'
'Wang, Jian-Ge'
_publ_section_title
;
 Synthesis, structures and properties of Mn(II) coordination frameworks
 based on R-isophthalate (R = --CH3 or --C(CH3)3) and various
 dipyridyl-type co-ligands
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              109
_journal_paper_doi               10.1039/b811725j
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C44 H40 Mn2 N4 O8'
_chemical_formula_weight         862.68
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.1400(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.438(2)
_cell_length_b                   14.6000(16)
_cell_length_c                   15.5025(17)
_cell_measurement_reflns_used    5412
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.79
_cell_volume                     4173.2(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0157
_diffrn_reflns_av_sigmaI/netI    0.0132
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15195
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.662
_exptl_absorpt_correction_T_max  0.7438
_exptl_absorpt_correction_T_min  0.7352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.49
_exptl_crystal_size_min          0.47
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3891
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0593P)²+5.9832P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                3636
_reflns_number_total             3891
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b811725j.txt
_cod_data_source_block           c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7200263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.210950(15) 0.728859(19) 0.133528(18) 0.02496(12) Uani 1 1 d . . .
O1 O 0.27846(8) 0.84270(10) 0.11402(10) 0.0350(3) Uani 1 1 d . . .
O2 O 0.32536(10) 0.82928(10) -0.01782(10) 0.0413(4) Uani 1 1 d . . .
O3 O 0.33708(10) 1.12842(11) 0.28109(10) 0.0436(4) Uani 1 1 d . . .
O4 O 0.30732(13) 1.25262(13) 0.20961(14) 0.0610(6) Uani 1 1 d . . .
N1 N 0.31008(10) 0.62986(12) 0.13551(13) 0.0375(4) Uani 1 1 d . . .
N2 N 0.61232(10) 0.32476(12) 0.12594(12) 0.0347(4) Uani 1 1 d . . .
C1 C 0.33064(11) 0.97459(13) 0.05110(12) 0.0270(4) Uani 1 1 d . . .
C2 C 0.32224(11) 1.02389(14) 0.12730(12) 0.0279(4) Uani 1 1 d . . .
H2 H 0.3077 0.9943 0.1775 0.033 Uiso 1 1 calc R . .
C3 C 0.33576(12) 1.11789(14) 0.12804(13) 0.0319(4) Uani 1 1 d . . .
C4 C 0.35631(14) 1.16171(15) 0.05254(15) 0.0404(5) Uani 1 1 d . . .
H4 H 0.3622 1.2250 0.0529 0.049 Uiso 1 1 calc R . .
C5 C 0.36830(13) 1.11386(16) -0.02355(14) 0.0391(5) Uani 1 1 d . . .
C6 C 0.35596(12) 1.01916(16) -0.02290(13) 0.0347(5) Uani 1 1 d . . .
H6 H 0.3648 0.9853 -0.0726 0.042 Uiso 1 1 calc R . .
C7 C 0.31004(11) 0.87490(13) 0.04847(13) 0.0271(4) Uani 1 1 d . . .
C8 C 0.32644(12) 1.17059(15) 0.21107(15) 0.0365(5) Uani 1 1 d . . .
C9 C 0.39807(17) 1.16236(19) -0.10465(16) 0.0531(7) Uani 1 1 d . . .
C10 C 0.3777(3) 1.2660(2) -0.1047(2) 0.0800(11) Uani 1 1 d . . .
H10A H 0.3987 1.2952 -0.0551 0.120 Uiso 1 1 calc R . .
H10B H 0.3259 1.2724 -0.1028 0.120 Uiso 1 1 calc R . .
H10C H 0.3959 1.2944 -0.1561 0.120 Uiso 1 1 calc R . .
C11 C 0.3654(2) 1.1228(2) -0.18672(17) 0.0695(10) Uani 1 1 d . . .
H11A H 0.3827 1.1567 -0.2356 0.104 Uiso 1 1 calc R . .
H11B H 0.3135 1.1270 -0.1841 0.104 Uiso 1 1 calc R . .
H11C H 0.3794 1.0598 -0.1923 0.104 Uiso 1 1 calc R . .
C12 C 0.4796(2) 1.1540(3) -0.1034(2) 0.0867(12) Uani 1 1 d . . .
H12A H 0.4982 1.1802 -0.0511 0.130 Uiso 1 1 calc R . .
H12B H 0.4995 1.1860 -0.1520 0.130 Uiso 1 1 calc R . .
H12C H 0.4930 1.0906 -0.1063 0.130 Uiso 1 1 calc R . .
C13 C 0.37703(14) 0.65714(17) 0.1171(2) 0.0599(8) Uani 1 1 d . . .
H13 H 0.3844 0.7188 0.1051 0.072 Uiso 1 1 calc R . .
C14 C 0.43619(14) 0.59943(18) 0.1147(2) 0.0618(9) Uani 1 1 d . . .
H14 H 0.4818 0.6229 0.1017 0.074 Uiso 1 1 calc R . .
C15 C 0.42826(12) 0.50694(14) 0.13158(15) 0.0342(5) Uani 1 1 d . . .
C16 C 0.35861(14) 0.47795(17) 0.1500(2) 0.0540(7) Uani 1 1 d . . .
H16 H 0.3497 0.4165 0.1617 0.065 Uiso 1 1 calc R . .
C17 C 0.30217(13) 0.54056(17) 0.1511(2) 0.0538(7) Uani 1 1 d . . .
H17 H 0.2559 0.5190 0.1635 0.065 Uiso 1 1 calc R . .
C18 C 0.49144(11) 0.44337(14) 0.12926(14) 0.0332(5) Uani 1 1 d . . .
C19 C 0.56165(14) 0.47533(17) 0.1213(2) 0.0649(9) Uani 1 1 d . . .
H19 H 0.5700 0.5379 0.1165 0.078 Uiso 1 1 calc R . .
C20 C 0.61960(14) 0.41525(18) 0.1205(2) 0.0614(9) Uani 1 1 d . . .
H20 H 0.6661 0.4394 0.1159 0.074 Uiso 1 1 calc R . .
C21 C 0.54480(14) 0.29411(16) 0.1340(2) 0.0525(7) Uani 1 1 d . . .
H21 H 0.5380 0.2311 0.1381 0.063 Uiso 1 1 calc R . .
C22 C 0.48404(13) 0.34947(16) 0.1369(2) 0.0498(7) Uani 1 1 d . . .
H22 H 0.4383 0.3236 0.1439 0.060 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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
O2 Mn1 O1 112.72(6) 7_565 . ?
O2 Mn1 O3 96.82(7) 7_565 4_545 ?
O1 Mn1 O3 150.19(7) . 4_545 ?
O2 Mn1 N2 87.23(7) 7_565 3_455 ?
O1 Mn1 N2 88.84(6) . 3_455 ?
O3 Mn1 N2 96.84(7) 4_545 3_455 ?
O2 Mn1 N1 90.52(7) 7_565 . ?
O1 Mn1 N1 91.58(6) . . ?
O3 Mn1 N1 83.91(7) 4_545 . ?
N2 Mn1 N1 177.70(7) 3_455 . ?
O2 Mn1 O4 148.55(7) 7_565 4_545 ?
O1 Mn1 O4 96.46(6) . 4_545 ?
O3 Mn1 O4 55.87(6) 4_545 4_545 ?
N2 Mn1 O4 81.69(7) 3_455 4_545 ?
N1 Mn1 O4 100.50(7) . 4_545 ?
C7 O1 Mn1 133.27(13) . . ?
C7 O2 Mn1 147.49(15) . 7_565 ?
C8 O3 Mn1 97.60(14) . 4 ?
C8 O4 Mn1 83.52(15) . 4 ?
C13 N1 C17 115.7(2) . . ?
C13 N1 Mn1 122.70(15) . . ?
C17 N1 Mn1 121.50(15) . . ?
C21 N2 C20 115.8(2) . . ?
C21 N2 Mn1 122.10(15) . 3_545 ?
C20 N2 Mn1 121.89(16) . 3_545 ?
C2 C1 C6 119.54(18) . . ?
C2 C1 C7 119.63(17) . . ?
C6 C1 C7 120.80(18) . . ?
C1 C2 C3 119.69(18) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 119.74(19) . . ?
C4 C3 C8 121.07(19) . . ?
C2 C3 C8 119.19(19) . . ?
C3 C4 C5 121.9(2) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C4 C5 C6 117.64(19) . . ?
C4 C5 C9 121.2(2) . . ?
C6 C5 C9 121.1(2) . . ?
C1 C6 C5 121.26(19) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
O2 C7 O1 124.42(19) . . ?
O2 C7 C1 118.51(18) . . ?
O1 C7 C1 117.07(17) . . ?
O4 C8 O3 121.8(2) . . ?
O4 C8 C3 120.4(2) . . ?
O3 C8 C3 117.81(19) . . ?
C12 C9 C11 111.9(3) . . ?
C12 C9 C5 108.0(2) . . ?
C11 C9 C5 111.5(2) . . ?
C12 C9 C10 108.6(3) . . ?
C11 C9 C10 105.9(3) . . ?
C5 C9 C10 111.0(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 123.9(2) . . ?
N1 C13 H13 118.0 . . ?
C14 C13 H13 118.0 . . ?
C13 C14 C15 120.5(2) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 115.9(2) . . ?
C16 C15 C18 122.7(2) . . ?
C14 C15 C18 121.4(2) . . ?
C15 C16 C17 119.9(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
N1 C17 C16 124.1(2) . . ?
N1 C17 H17 118.0 . . ?
C16 C17 H17 118.0 . . ?
C19 C18 C22 115.8(2) . . ?
C19 C18 C15 121.6(2) . . ?
C22 C18 C15 122.6(2) . . ?
C18 C19 C20 120.7(2) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
N2 C20 C19 123.5(2) . . ?
N2 C20 H20 118.3 . . ?
C19 C20 H20 118.3 . . ?
N2 C21 C22 124.4(2) . . ?
N2 C21 H21 117.8 . . ?
C22 C21 H21 117.8 . . ?
C21 C22 C18 119.8(2) . . ?
C21 C22 H22 120.1 . . ?
C18 C22 H22 120.1 . . ?
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 O2 2.0930(15) 7_565 ?
Mn1 O1 2.0989(15) . ?
Mn1 O3 2.1662(16) 4_545 ?
Mn1 N2 2.2980(17) 3_455 ?
Mn1 N1 2.3304(18) . ?
Mn1 O4 2.480(2) 4_545 ?
O1 C7 1.263(2) . ?
O2 C7 1.257(2) . ?
O2 Mn1 2.0930(15) 7_565 ?
O3 C8 1.263(3) . ?
O3 Mn1 2.1662(16) 4 ?
O4 C8 1.249(3) . ?
O4 Mn1 2.480(2) 4 ?
N1 C13 1.329(3) . ?
N1 C17 1.334(3) . ?
N2 C21 1.329(3) . ?
N2 C20 1.331(3) . ?
N2 Mn1 2.2979(17) 3_545 ?
C1 C2 1.392(3) . ?
C1 C6 1.400(3) . ?
C1 C7 1.505(3) . ?
C2 C3 1.395(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.387(3) . ?
C3 C8 1.510(3) . ?
C4 C5 1.389(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.401(3) . ?
C5 C9 1.545(3) . ?
C6 H6 0.9300 . ?
C9 C12 1.508(5) . ?
C9 C11 1.520(4) . ?
C9 C10 1.560(5) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.379(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.383(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.383(3) . ?
C15 C18 1.490(3) . ?
C16 C17 1.385(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.382(3) . ?
C18 C22 1.383(3) . ?
C19 C20 1.382(3) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.382(3) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
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
O2 Mn1 O1 C7 -12.4(2) 7_565 . . . ?
O3 Mn1 O1 C7 159.36(17) 4_545 . . . ?
N2 Mn1 O1 C7 -98.87(19) 3_455 . . . ?
N1 Mn1 O1 C7 78.87(19) . . . . ?
O4 Mn1 O1 C7 179.62(18) 4_545 . . . ?
O2 Mn1 N1 C13 105.7(2) 7_565 . . . ?
O1 Mn1 N1 C13 -7.0(2) . . . . ?
O3 Mn1 N1 C13 -157.5(2) 4_545 . . . ?
N2 Mn1 N1 C13 93.4(17) 3_455 . . . ?
O4 Mn1 N1 C13 -103.9(2) 4_545 . . . ?
O2 Mn1 N1 C17 -70.8(2) 7_565 . . . ?
O1 Mn1 N1 C17 176.5(2) . . . . ?
O3 Mn1 N1 C17 26.0(2) 4_545 . . . ?
N2 Mn1 N1 C17 -83.1(17) 3_455 . . . ?
O4 Mn1 N1 C17 79.6(2) 4_545 . . . ?
C6 C1 C2 C3 3.1(3) . . . . ?
C7 C1 C2 C3 -174.88(18) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C1 C2 C3 C8 179.99(19) . . . . ?
C2 C3 C4 C5 -4.0(4) . . . . ?
C8 C3 C4 C5 177.1(2) . . . . ?
C3 C4 C5 C6 2.6(4) . . . . ?
C3 C4 C5 C9 -174.2(2) . . . . ?
C2 C1 C6 C5 -4.5(3) . . . . ?
C7 C1 C6 C5 173.5(2) . . . . ?
C4 C5 C6 C1 1.6(4) . . . . ?
C9 C5 C6 C1 178.4(2) . . . . ?
Mn1 O2 C7 O1 78.9(3) 7_565 . . . ?
Mn1 O2 C7 C1 -101.4(3) 7_565 . . . ?
Mn1 O1 C7 O2 -22.6(3) . . . . ?
Mn1 O1 C7 C1 157.69(14) . . . . ?
C2 C1 C7 O2 -172.35(19) . . . . ?
C6 C1 C7 O2 9.7(3) . . . . ?
C2 C1 C7 O1 7.4(3) . . . . ?
C6 C1 C7 O1 -170.54(19) . . . . ?
Mn1 O4 C8 O3 -10.6(2) 4 . . . ?
Mn1 O4 C8 C3 167.85(19) 4 . . . ?
Mn1 O3 C8 O4 12.2(3) 4 . . . ?
Mn1 O3 C8 C3 -166.30(16) 4 . . . ?
C4 C3 C8 O4 29.8(3) . . . . ?
C2 C3 C8 O4 -149.1(2) . . . . ?
C4 C3 C8 O3 -151.7(2) . . . . ?
C2 C3 C8 O3 29.4(3) . . . . ?
C4 C5 C9 C12 92.1(3) . . . . ?
C6 C5 C9 C12 -84.6(3) . . . . ?
C4 C5 C9 C11 -144.6(3) . . . . ?
C6 C5 C9 C11 38.7(4) . . . . ?
C4 C5 C9 C10 -26.8(4) . . . . ?
C6 C5 C9 C10 156.5(3) . . . . ?
C17 N1 C13 C14 -0.8(5) . . . . ?
Mn1 N1 C13 C14 -177.6(3) . . . . ?
N1 C13 C14 C15 0.4(6) . . . . ?
C13 C14 C15 C16 0.2(5) . . . . ?
C13 C14 C15 C18 179.9(3) . . . . ?
C14 C15 C16 C17 -0.3(4) . . . . ?
C18 C15 C16 C17 -180.0(3) . . . . ?
C13 N1 C17 C16 0.8(5) . . . . ?
Mn1 N1 C17 C16 177.5(2) . . . . ?
C15 C16 C17 N1 -0.2(5) . . . . ?
C16 C15 C18 C19 -171.8(3) . . . . ?
C14 C15 C18 C19 8.5(4) . . . . ?
C16 C15 C18 C22 6.6(4) . . . . ?
C14 C15 C18 C22 -173.0(3) . . . . ?
C22 C18 C19 C20 0.6(5) . . . . ?
C15 C18 C19 C20 179.1(3) . . . . ?
C21 N2 C20 C19 -1.2(5) . . . . ?
Mn1 N2 C20 C19 -175.7(3) 3_545 . . . ?
C18 C19 C20 N2 0.9(6) . . . . ?
C20 N2 C21 C22 0.1(5) . . . . ?
Mn1 N2 C21 C22 174.6(2) 3_545 . . . ?
N2 C21 C22 C18 1.4(5) . . . . ?
C19 C18 C22 C21 -1.6(4) . . . . ?
C15 C18 C22 C21 179.9(3) . . . . ?
