#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312968.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_4312968
loop_
_publ_author_name
'Albert Escuer'
'Núria Sanz'
'Ramon Vicente'
'Franz A. Mautner'
_publ_section_title
;
 Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands.
 Syntheses, Crystal Structures, and Characterization of Their Magnetic
 Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              541
_journal_page_last               551
_journal_paper_doi               10.1021/ic025931l
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C52 H44 Cl4 Mn2 N12 O2'
_chemical_formula_weight         1120.67
_chemical_name_common            '[Mn(2,2'-bpy)(3-Cl-C6H4-NCN)2(EtOH)]2'
_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
_cell_angle_alpha                117.64(3)
_cell_angle_beta                 95.76(3)
_cell_angle_gamma                104.24(3)
_cell_formula_units_Z            1
_cell_length_a                   10.684(4)
_cell_length_b                   11.980(5)
_cell_length_c                   12.003(5)
_cell_measurement_reflns_used    49
_cell_measurement_temperature    88(2)
_cell_measurement_theta_max      15.5
_cell_measurement_theta_min      5.3
_cell_volume                     1277.4(10)
_computing_molecular_graphics    'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_publication_material  'SHELXTL/PC v.5.03 (Siemens Ind. Aut.)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      88(2)
_diffrn_measurement_device       'mod. STOE 4-circle diffractometer'
_diffrn_measurement_method       'Omega-Scan; delta Omega: 1.35 deg.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6371
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.97
_diffrn_standards_decay_%        6
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  '1 h'
_diffrn_standards_number         '3  (2 -1 2; 1 -1 2; -1 0 2)'
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_description       irregular
_exptl_crystal_F_000             574
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.569
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.077
_refine_ls_goodness_of_fit_obs   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     330
_refine_ls_number_reflns         5535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_restrained_S_obs      1.082
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_obs          0.0439
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0518P)²+0.9160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1177
_refine_ls_wR_factor_obs         0.1099
_reflns_number_observed          4979
_reflns_number_total             5565
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic025931l_s1_3.cif
_cod_data_source_block           ns1482
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+0.9160P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0518P)^2^+0.9160P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1277.4(9)
_cod_database_code               4312968
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.09958(3) 0.33198(3) 0.03690(3) 0.01522(11) Uani 1 d . .
N1 N 0.0617(2) 0.5822(2) -0.0743(2) 0.0184(4) Uani 1 d . .
C1 C 0.0860(2) 0.4831(2) -0.1051(2) 0.0166(4) Uani 1 d . .
N2 N 0.1091(2) 0.3735(2) -0.1307(2) 0.0171(4) Uani 1 d . .
C2 C 0.1297(2) 0.2962(2) -0.2540(2) 0.0161(4) Uani 1 d . .
C3 C 0.1401(2) 0.1716(2) -0.2853(2) 0.0175(4) Uani 1 d . .
H3 H 0.1318(2) 0.1415(2) -0.2266(2) 0.021 Uiso 1 calc R .
C4 C 0.1626(2) 0.0932(2) -0.4042(2) 0.0183(4) Uani 1 d . .
C5 C 0.1739(2) 0.1324(2) -0.4956(2) 0.0202(5) Uani 1 d . .
H5 H 0.1878(2) 0.0777(2) -0.5755(2) 0.024 Uiso 1 calc R .
C6 C 0.1637(2) 0.2563(2) -0.4636(2) 0.0220(5) Uani 1 d . .
H6 H 0.1714(2) 0.2853(2) -0.5231(2) 0.026 Uiso 1 calc R .
C7 C 0.1423(2) 0.3380(2) -0.3447(2) 0.0194(5) Uani 1 d . .
H7 H 0.1364(2) 0.4210(2) -0.3253(2) 0.023 Uiso 1 calc R .
Cl1 Cl 0.17929(6) -0.05991(6) -0.43872(6) 0.02363(14) Uani 1 d . .
N3 N -0.0109(2) 0.1223(2) -0.0770(2) 0.0216(4) Uani 1 d . .
C8 C -0.0896(2) 0.0152(2) -0.1318(2) 0.0172(4) Uani 1 d . .
N4 N -0.1708(2) -0.1060(2) -0.1917(2) 0.0188(4) Uani 1 d . .
C9 C -0.3040(2) -0.1298(2) -0.2449(2) 0.0172(4) Uani 1 d . .
C10 C -0.3920(2) -0.2609(2) -0.3038(2) 0.0196(5) Uani 1 d . .
H10 H -0.3618(2) -0.3285(2) -0.3066(2) 0.024 Uiso 1 calc R .
C11 C -0.5243(2) -0.2888(2) -0.3575(2) 0.0212(5) Uani 1 d . .
C12 C -0.5728(2) -0.1926(3) -0.3586(2) 0.0250(5) Uani 1 d . .
H12 H -0.6617(2) -0.2143(3) -0.3975(2) 0.030 Uiso 1 calc R .
C13 C -0.4858(2) -0.0632(3) -0.3003(3) 0.0263(5) Uani 1 d . .
H13 H -0.5168(2) 0.0030(3) -0.2996(3) 0.032 Uiso 1 calc R .
C14 C -0.3528(2) -0.0305(2) -0.2426(2) 0.0209(5) Uani 1 d . .
H14 H -0.2960(2) 0.0574(2) -0.2024(2) 0.025 Uiso 1 calc R .
Cl2 Cl -0.63250(6) -0.45141(6) -0.42594(7) 0.0332(2) Uani 1 d . .
N5 N 0.2684(2) 0.5341(2) 0.1611(2) 0.0182(4) Uani 1 d . .
C17 C 0.2491(2) 0.6508(2) 0.2303(2) 0.0212(5) Uani 1 d . .
H17 H 0.1625(2) 0.6530(2) 0.2188(2) 0.025 Uiso 1 calc R .
C18 C 0.3504(2) 0.7683(2) 0.3180(2) 0.0236(5) Uani 1 d . .
H18 H 0.3325(2) 0.8475(2) 0.3643(2) 0.028 Uiso 1 calc R .
C19 C 0.4786(2) 0.7649(3) 0.3348(3) 0.0274(5) Uani 1 d . .
H19 H 0.5491(2) 0.8419(3) 0.3940(3) 0.033 Uiso 1 calc R .
C20 C 0.5014(2) 0.6455(2) 0.2626(3) 0.0251(5) Uani 1 d . .
H20 H 0.5874(2) 0.6416(2) 0.2722(3) 0.030 Uiso 1 calc R .
C21 C 0.3945(2) 0.5320(2) 0.1761(2) 0.0189(4) Uani 1 d . .
C22 C 0.4114(2) 0.3993(2) 0.0990(2) 0.0199(5) Uani 1 d . .
C23 C 0.5367(2) 0.3861(3) 0.0905(3) 0.0277(5) Uani 1 d . .
H23 H 0.6127(2) 0.4613(3) 0.1276(3) 0.033 Uiso 1 calc R .
C24 C 0.5464(3) 0.2599(3) 0.0264(3) 0.0329(6) Uani 1 d . .
H24 H 0.6291(3) 0.2491(3) 0.0197(3) 0.039 Uiso 1 calc R .
C25 C 0.4318(3) 0.1496(3) -0.0279(3) 0.0290(6) Uani 1 d . .
H25 H 0.4360(3) 0.0634(3) -0.0687(3) 0.035 Uiso 1 calc R .
C26 C 0.3106(2) 0.1711(2) -0.0198(2) 0.0225(5) Uani 1 d . .
H26 H 0.2331(2) 0.0973(2) -0.0582(2) 0.027 Uiso 1 calc R .
N6 N 0.2995(2) 0.2928(2) 0.0406(2) 0.0187(4) Uani 1 d . .
O1 O 0.1067(2) 0.3212(2) 0.2161(2) 0.0241(4) Uani 1 d . .
H1 H 0.1184(29) 0.2518(30) 0.2066(29) 0.026(8) Uiso 1 d . .
C15 C 0.0228(5) 0.3597(5) 0.3011(4) 0.0691(14) Uani 1 d . .
H15A H 0.0129(5) 0.4423(5) 0.3123(4) 0.083 Uiso 1 calc R .
H15B H 0.0651(5) 0.3767(5) 0.3854(4) 0.083 Uiso 1 calc R .
C16 C -0.1065(5) 0.2614(7) 0.2554(7) 0.129(3) Uani 1 d . .
H16A H -0.1609(15) 0.2957(19) 0.3131(25) 0.155 Uiso 1 calc R .
H16B H -0.0982(7) 0.1821(18) 0.2525(45) 0.155 Uiso 1 calc R .
H16C H -0.1471(20) 0.2402(35) 0.1699(19) 0.155 Uiso 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'
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'
O O 0.0106 0.0060 '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
N3 Mn1 N1 101.48(8) . 2_565 yes
N3 Mn1 O1 90.07(8) . . yes
N1 Mn1 O1 90.05(7) 2_565 . yes
N3 Mn1 N2 97.78(8) . . yes
N1 Mn1 N2 88.59(7) 2_565 . yes
O1 Mn1 N2 172.15(7) . . yes
N3 Mn1 N6 91.94(8) . . yes
N1 Mn1 N6 165.85(7) 2_565 . yes
O1 Mn1 N6 85.42(7) . . yes
N2 Mn1 N6 94.07(7) . . yes
N3 Mn1 N5 163.41(7) . . yes
N1 Mn1 N5 94.74(8) 2_565 . yes
O1 Mn1 N5 86.44(8) . . yes
N2 Mn1 N5 85.96(8) . . yes
N6 Mn1 N5 71.63(8) . . yes
C1 N1 Mn1 142.9(2) . 2_565 yes
N1 C1 N2 175.0(2) . . yes
C1 N2 C2 118.1(2) . . yes
C1 N2 Mn1 111.93(15) . . yes
C2 N2 Mn1 129.86(14) . . yes
C3 C2 C7 118.7(2) . . ?
C3 C2 N2 117.4(2) . . ?
C7 C2 N2 123.9(2) . . ?
C4 C3 C2 119.5(2) . . ?
C4 C3 H3 120.26(14) . . ?
C2 C3 H3 120.26(13) . . ?
C5 C4 C3 122.6(2) . . ?
C5 C4 Cl1 119.0(2) . . ?
C3 C4 Cl1 118.4(2) . . ?
C4 C5 C6 117.5(2) . . ?
C4 C5 H5 121.23(14) . . ?
C6 C5 H5 121.23(14) . . ?
C5 C6 C7 121.4(2) . . ?
C5 C6 H6 119.30(14) . . ?
C7 C6 H6 119.30(14) . . ?
C6 C7 C2 120.3(2) . . ?
C6 C7 H7 119.85(14) . . ?
C2 C7 H7 119.84(14) . . ?
C8 N3 Mn1 168.0(2) . . yes
N3 C8 N4 176.4(2) . . yes
C8 N4 C9 118.1(2) . . yes
C10 C9 N4 117.4(2) . . ?
C10 C9 C14 118.9(2) . . ?
N4 C9 C14 123.7(2) . . ?
C11 C10 C9 119.3(2) . . ?
C11 C10 H10 120.36(15) . . ?
C9 C10 H10 120.36(13) . . ?
C12 C11 C10 122.4(2) . . ?
C12 C11 Cl2 119.2(2) . . ?
C10 C11 Cl2 118.4(2) . . ?
C11 C12 C13 118.2(2) . . ?
C11 C12 H12 120.91(14) . . ?
C13 C12 H12 120.91(15) . . ?
C12 C13 C14 121.2(2) . . ?
C12 C13 H13 119.41(15) . . ?
C14 C13 H13 119.41(15) . . ?
C13 C14 C9 120.0(2) . . ?
C13 C14 H14 119.99(15) . . ?
C9 C14 H14 119.99(14) . . ?
C17 N5 C21 117.9(2) . . ?
C17 N5 Mn1 124.3(2) . . ?
C21 N5 Mn1 117.4(2) . . ?
N5 C17 C18 123.7(2) . . ?
N5 C17 H17 118.15(13) . . ?
C18 C17 H17 118.15(14) . . ?
C19 C18 C17 118.1(2) . . ?
C19 C18 H18 120.97(15) . . ?
C17 C18 H18 120.97(14) . . ?
C18 C19 C20 119.2(2) . . ?
C18 C19 H19 120.4(2) . . ?
C20 C19 H19 120.39(14) . . ?
C21 C20 C19 119.3(2) . . ?
C21 C20 H20 120.37(14) . . ?
C19 C20 H20 120.37(14) . . ?
N5 C21 C20 121.8(2) . . ?
N5 C21 C22 116.2(2) . . ?
C20 C21 C22 122.0(2) . . ?
N6 C22 C23 121.7(2) . . ?
N6 C22 C21 116.3(2) . . ?
C23 C22 C21 122.0(2) . . ?
C24 C23 C22 119.1(2) . . ?
C24 C23 H23 120.5(2) . . ?
C22 C23 H23 120.5(2) . . ?
C23 C24 C25 119.3(2) . . ?
C23 C24 H24 120.3(2) . . ?
C25 C24 H24 120.33(15) . . ?
C24 C25 C26 118.0(2) . . ?
C24 C25 H25 121.0(2) . . ?
C26 C25 H25 121.0(2) . . ?
N6 C26 C25 123.2(2) . . ?
N6 C26 H26 118.38(14) . . ?
C25 C26 H26 118.4(2) . . ?
C26 N6 C22 118.4(2) . . ?
C26 N6 Mn1 123.9(2) . . ?
C22 N6 Mn1 117.6(2) . . ?
C15 O1 Mn1 125.4(2) . . ?
C15 O1 H1 110.7(21) . . ?
Mn1 O1 H1 112.1(21) . . ?
O1 C15 C16 113.2(4) . . ?
O1 C15 H15A 108.9(2) . . ?
C16 C15 H15A 108.9(2) . . ?
O1 C15 H15B 108.9(2) . . ?
O1 H1 N4 172(3) . 2 yes
C16 C15 H15B 108.9(3) . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 H16A 109.5(3) . . ?
C15 C16 H16B 109.5(2) . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5(3) . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 Mn1 5.354(2) 2_565 yes
Mn1 Mn1 7.303(2) 2 yes
Mn1 N3 2.146(2) . yes
Mn1 N1 2.197(2) 2_565 yes
Mn1 O1 2.209(2) . yes
Mn1 N2 2.291(2) . yes
Mn1 N6 2.297(2) . yes
Mn1 N5 2.303(2) . yes
N1 C1 1.174(3) . yes
N1 Mn1 2.197(2) 2_565 ?
C1 N2 1.295(3) . yes
N2 C2 1.411(3) . yes
C2 C3 1.397(3) . ?
C2 C7 1.399(3) . ?
C3 C4 1.384(3) . ?
C3 H3 0.93 . ?
C4 C5 1.383(3) . ?
C4 Cl1 1.743(2) . ?
C5 C6 1.386(3) . ?
C5 H5 0.93 . ?
C6 C7 1.388(3) . ?
C6 H6 0.93 . ?
C7 H7 0.93 . ?
N3 C8 1.167(3) . yes
C8 N4 1.290(3) . yes
N4 C9 1.402(3) . yes
C9 C10 1.400(3) . ?
C9 C14 1.403(3) . ?
C10 C11 1.381(3) . ?
C10 H10 0.93 . ?
C11 C12 1.380(4) . ?
C11 Cl2 1.739(3) . ?
C12 C13 1.382(4) . ?
C12 H12 0.93 . ?
C13 C14 1.389(3) . ?
C13 H13 0.93 . ?
C14 H14 0.93 . ?
N5 C17 1.337(3) . ?
N5 C21 1.349(3) . ?
C17 C18 1.382(3) . ?
C17 H17 0.93 . ?
C18 C19 1.379(3) . ?
C18 H18 0.93 . ?
C19 C20 1.386(4) . ?
C19 H19 0.93 . ?
C20 C21 1.385(3) . ?
C20 H20 0.93 . ?
C21 C22 1.492(3) . ?
C22 N6 1.342(3) . ?
C22 C23 1.394(3) . ?
C23 C24 1.379(4) . ?
C23 H23 0.93 . ?
C24 C25 1.384(4) . ?
C24 H24 0.93 . ?
C25 C26 1.386(3) . ?
C25 H25 0.93 . ?
C26 N6 1.337(3) . ?
C26 H26 0.93 . ?
O1 C15 1.417(3) . ?
O1 H1 0.83(3) . yes
O1 N4 2.721(3) 2 yes
H1 N4 1.90(3) 2 yes
C15 C16 1.430(7) . ?
C15 H15A 0.97 . ?
C15 H15B 0.97 . ?
C16 H16A 0.96 . ?
C16 H16B 0.96 . ?
C16 H16C 0.96 . ?
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
Mn1 N1 C1 N2 -55.2(28) 2_565 . . . ?
N1 C1 N2 C2 163.4(26) . . . . ?
N1 C1 N2 Mn1 -13.9(27) . . . . ?
N3 Mn1 N2 C1 136.9(2) . . . . ?
N1 Mn1 N2 C1 35.5(2) 2_565 . . . ?
O1 Mn1 N2 C1 -44.6(5) . . . . ?
N6 Mn1 N2 C1 -130.6(2) . . . . ?
N5 Mn1 N2 C1 -59.4(2) . . . . ?
N3 Mn1 N2 C2 -40.1(2) . . . . ?
N1 Mn1 N2 C2 -141.4(2) 2_565 . . . ?
O1 Mn1 N2 C2 138.5(4) . . . . ?
N6 Mn1 N2 C2 52.5(2) . . . . ?
N5 Mn1 N2 C2 123.7(2) . . . . ?
C1 N2 C2 C3 -173.3(2) . . . . ?
Mn1 N2 C2 C3 3.5(3) . . . . ?
C1 N2 C2 C7 7.8(3) . . . . ?
Mn1 N2 C2 C7 -175.4(2) . . . . ?
C7 C2 C3 C4 0.1(3) . . . . ?
N2 C2 C3 C4 -178.9(2) . . . . ?
C2 C3 C4 C5 -0.9(3) . . . . ?
C2 C3 C4 Cl1 178.4(2) . . . . ?
C3 C4 C5 C6 1.0(3) . . . . ?
Cl1 C4 C5 C6 -178.3(2) . . . . ?
C4 C5 C6 C7 -0.3(3) . . . . ?
C5 C6 C7 C2 -0.4(3) . . . . ?
C3 C2 C7 C6 0.5(3) . . . . ?
N2 C2 C7 C6 179.4(2) . . . . ?
N1 Mn1 N3 C8 -12.4(9) 2_565 . . . ?
O1 Mn1 N3 C8 77.7(9) . . . . ?
N2 Mn1 N3 C8 -102.5(9) . . . . ?
N6 Mn1 N3 C8 163.1(9) . . . . ?
N5 Mn1 N3 C8 155.4(8) . . . . ?
Mn1 N3 C8 N4 -150.7(33) . . . . ?
N3 C8 N4 C9 -175.1(38) . . . . ?
C8 N4 C9 C10 -176.9(2) . . . . ?
C8 N4 C9 C14 3.3(3) . . . . ?
N4 C9 C10 C11 -180.0(2) . . . . ?
C14 C9 C10 C11 -0.2(3) . . . . ?
C9 C10 C11 C12 1.8(4) . . . . ?
C9 C10 C11 Cl2 -178.2(2) . . . . ?
C10 C11 C12 C13 -1.9(4) . . . . ?
Cl2 C11 C12 C13 178.2(2) . . . . ?
C11 C12 C13 C14 0.4(4) . . . . ?
C12 C13 C14 C9 1.2(4) . . . . ?
C10 C9 C14 C13 -1.3(3) . . . . ?
N4 C9 C14 C13 178.5(2) . . . . ?
N3 Mn1 N5 C17 -164.7(2) . . . . ?
N1 Mn1 N5 C17 3.2(2) 2_565 . . . ?
O1 Mn1 N5 C17 -86.5(2) . . . . ?
N2 Mn1 N5 C17 91.5(2) . . . . ?
N6 Mn1 N5 C17 -172.9(2) . . . . ?
N3 Mn1 N5 C21 7.6(4) . . . . ?
N1 Mn1 N5 C21 175.5(2) 2_565 . . . ?
O1 Mn1 N5 C21 85.8(2) . . . . ?
N2 Mn1 N5 C21 -96.2(2) . . . . ?
N6 Mn1 N5 C21 -0.6(2) . . . . ?
C21 N5 C17 C18 -1.4(3) . . . . ?
Mn1 N5 C17 C18 170.9(2) . . . . ?
N5 C17 C18 C19 0.0(4) . . . . ?
C17 C18 C19 C20 0.9(4) . . . . ?
C18 C19 C20 C21 -0.6(4) . . . . ?
C17 N5 C21 C20 1.7(3) . . . . ?
Mn1 N5 C21 C20 -171.1(2) . . . . ?
C17 N5 C21 C22 178.9(2) . . . . ?
Mn1 N5 C21 C22 6.0(3) . . . . ?
C19 C20 C21 N5 -0.8(4) . . . . ?
C19 C20 C21 C22 -177.7(2) . . . . ?
N5 C21 C22 N6 -11.1(3) . . . . ?
C20 C21 C22 N6 166.1(2) . . . . ?
N5 C21 C22 C23 170.4(2) . . . . ?
C20 C21 C22 C23 -12.5(4) . . . . ?
N6 C22 C23 C24 -3.6(4) . . . . ?
C21 C22 C23 C24 174.9(2) . . . . ?
C22 C23 C24 C25 0.0(4) . . . . ?
C23 C24 C25 C26 2.5(4) . . . . ?
C24 C25 C26 N6 -1.7(4) . . . . ?
C25 C26 N6 C22 -1.7(4) . . . . ?
C25 C26 N6 Mn1 173.2(2) . . . . ?
C23 C22 N6 C26 4.4(3) . . . . ?
C21 C22 N6 C26 -174.1(2) . . . . ?
C23 C22 N6 Mn1 -170.8(2) . . . . ?
C21 C22 N6 Mn1 10.7(3) . . . . ?
N3 Mn1 N6 C26 1.7(2) . . . . ?
N1 Mn1 N6 C26 163.3(2) 2_565 . . . ?
O1 Mn1 N6 C26 91.6(2) . . . . ?
N2 Mn1 N6 C26 -96.2(2) . . . . ?
N5 Mn1 N6 C26 179.4(2) . . . . ?
N3 Mn1 N6 C22 176.7(2) . . . . ?
N1 Mn1 N6 C22 -21.7(4) 2_565 . . . ?
O1 Mn1 N6 C22 -93.4(2) . . . . ?
N2 Mn1 N6 C22 78.7(2) . . . . ?
N5 Mn1 N6 C22 -5.6(2) . . . . ?
N3 Mn1 O1 C15 -100.1(3) . . . . ?
N1 Mn1 O1 C15 1.4(3) 2_565 . . . ?
N2 Mn1 O1 C15 81.4(6) . . . . ?
N6 Mn1 O1 C15 168.0(3) . . . . ?
N5 Mn1 O1 C15 96.1(3) . . . . ?
Mn1 O1 C15 C16 79.5(4) . . . . ?
