#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:28:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179112 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307451.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_4307451
loop_
_publ_author_name
'Xiao-Ping Zhou'
'Wen-Xiu Ni'
'Shun-Ze Zhan'
'Jia Ni'
'Dan Li'
'Ye-Gao Yin'
_publ_section_title
;
From Encapsulation to Polypseudorotaxane: Unusual Anion Networks Driven
by Predesigned Metal Bis(terpyridine) Complex Cations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2345
_journal_page_last               2347
_journal_paper_doi               10.1021/ic061927o
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C52 H34 Cu6 Mn N14'
_chemical_formula_weight         1291.11
_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                 103.746(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.514(5)
_cell_length_b                   18.574(3)
_cell_length_c                   16.238(3)
_cell_measurement_reflns_used    4525
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.39
_cell_measurement_theta_min      2.22
_cell_volume                     10404(3)
_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      200(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  0.0423
_diffrn_reflns_av_sigmaI/netI    0.0540
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            26933
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    2.691
_exptl_absorpt_correction_T_max  0.5644
_exptl_absorpt_correction_T_min  0.4527
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5144
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.526
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     662
_refine_ls_number_reflns         9147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0841
_refine_ls_R_factor_gt           0.0581
_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)+(0.1076P)²+21.0225P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1846
_reflns_number_gt                6466
_reflns_number_total             9147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061927osi20070210_104654_1.cif
_cod_data_source_block           2a
_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_database_code               4307451
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
Cu1 Cu 0.5000 1.04650(8) 1.2500 0.0608(4) Uani 1 2 d S . .
Cu2 Cu 0.5000 0.88254(9) 1.2500 0.0685(4) Uani 1 2 d S . .
Cu3 Cu 0.42420(2) 0.93812(4) 0.96304(5) 0.0500(2) Uani 1 1 d . . .
Cu4 Cu 0.29135(2) 1.00215(4) 0.98404(5) 0.0456(2) Uani 1 1 d . . .
Cu5 Cu 0.20905(2) 1.01573(4) 0.69321(5) 0.0440(2) Uani 1 1 d . . .
Cu6 Cu 0.07674(2) 0.94152(4) 0.54115(5) 0.0473(2) Uani 1 1 d . . .
Cu7 Cu 0.0000 0.94708(8) 0.2500 0.0583(4) Uani 1 2 d S . .
Cu8 Cu 0.0000 0.89197(9) 0.7500 0.0669(4) Uani 1 2 d S . .
Mn1 Mn 0.13662(2) 0.25193(3) 0.81963(4) 0.01806(19) Uani 1 1 d . . .
N1 N 0.53085(18) 1.0501(4) 1.1724(4) 0.0674(18) Uani 1 1 d . . .
N2 N 0.45542(18) 0.8966(3) 1.0714(4) 0.0618(16) Uani 1 1 d . . .
N3 N 0.3434(2) 0.9842(3) 0.9736(3) 0.0577(16) Uani 1 1 d . . .
N4 N 0.2633(2) 0.9906(4) 1.0742(4) 0.077(2) Uani 1 1 d . . .
N5 N 0.23652(18) 1.0295(3) 0.8095(4) 0.0592(16) Uani 1 1 d . . .
N6 N 0.12715(18) 0.9744(3) 0.5980(3) 0.0515(14) Uani 1 1 d . . .
N7 N 0.04933(18) 0.9430(3) 0.4241(4) 0.0620(16) Uani 1 1 d . . .
N8 N 0.0281(2) 0.8952(4) 0.6638(5) 0.080(2) Uani 1 1 d . . .
N9 N 0.17806(14) 0.2457(2) 0.9400(3) 0.0353(11) Uani 1 1 d . . .
N10 N 0.13794(13) 0.1488(2) 0.8411(3) 0.0311(10) Uani 1 1 d . . .
N11 N 0.09580(14) 0.2115(2) 0.7096(3) 0.0406(12) Uani 1 1 d . . .
N12 N 0.17979(14) 0.2625(2) 0.7427(3) 0.0371(12) Uani 1 1 d . . .
N13 N 0.13768(13) 0.3567(2) 0.8003(3) 0.0305(10) Uani 1 1 d . . .
N14 N 0.09374(15) 0.2918(3) 0.8858(3) 0.0432(13) Uani 1 1 d . . .
C1 C 0.47298(19) 0.8851(4) 1.1381(4) 0.0532(18) Uani 1 1 d . . .
C2 C 0.45129(17) 0.9453(3) 0.8780(4) 0.0400(14) Uani 1 1 d . . .
C3 C 0.37417(17) 0.9677(3) 0.9683(4) 0.0339(13) Uani 1 1 d . . .
C4 C 0.25647(16) 1.0290(3) 0.8764(3) 0.0315(13) Uani 1 1 d . . .
C5 C 0.24393(18) 1.0156(4) 0.6186(4) 0.0453(18) Uani 1 1 d . . .
C6 C 0.15787(17) 0.9930(3) 0.6346(3) 0.0343(13) Uani 1 1 d . . .
C7 C 0.03142(18) 0.9446(4) 0.3559(4) 0.0425(15) Uani 1 1 d . . .
C8 C 0.04546(17) 0.9056(4) 0.6158(4) 0.0413(15) Uani 1 1 d . . .
C9 C 0.19616(19) 0.2994(3) 0.9899(4) 0.0426(15) Uani 1 1 d . . .
H9 H 0.1916 0.3475 0.9702 0.051 Uiso 1 1 calc R . .
C10 C 0.22058(19) 0.2880(3) 1.0671(4) 0.0495(17) Uani 1 1 d . . .
H10 H 0.2330 0.3274 1.1000 0.059 Uiso 1 1 calc R . .
C11 C 0.22706(19) 0.2178(3) 1.0971(4) 0.0471(16) Uani 1 1 d . . .
H11 H 0.2439 0.2083 1.1508 0.057 Uiso 1 1 calc R . .
C12 C 0.20812(17) 0.1612(3) 1.0460(4) 0.0375(14) Uani 1 1 d . . .
H12 H 0.2120 0.1127 1.0646 0.045 Uiso 1 1 calc R . .
C13 C 0.18399(16) 0.1771(3) 0.9691(3) 0.0311(12) Uani 1 1 d . . .
C14 C 0.16173(15) 0.1216(3) 0.9118(3) 0.0288(12) Uani 1 1 d . . .
C15 C 0.16360(15) 0.0488(3) 0.9283(3) 0.0290(12) Uani 1 1 d . . .
H15 H 0.1812 0.0309 0.9775 0.035 Uiso 1 1 calc R . .
C16 C 0.13956(15) 0.0009(3) 0.8725(3) 0.0283(12) Uani 1 1 d . . .
C17 C 0.14048(17) -0.0764(3) 0.8922(3) 0.0342(13) Uani 1 1 d . . .
C18 C 0.17463(18) -0.1111(3) 0.9305(4) 0.0403(14) Uani 1 1 d . . .
H18 H 0.1982 -0.0846 0.9432 0.048 Uiso 1 1 calc R . .
C19 C 0.1752(2) -0.1832(3) 0.9505(4) 0.0469(16) Uani 1 1 d . . .
H19 H 0.1990 -0.2060 0.9761 0.056 Uiso 1 1 calc R . .
C20 C 0.1406(2) -0.2232(3) 0.9334(4) 0.0493(17) Uani 1 1 d . . .
C21 C 0.1412(3) -0.3018(3) 0.9587(5) 0.071(2) Uani 1 1 d . . .
H21A H 0.1395 -0.3055 1.0179 0.106 Uiso 1 1 calc R . .
H21B H 0.1653 -0.3241 0.9522 0.106 Uiso 1 1 calc R . .
H21C H 0.1190 -0.3267 0.9222 0.106 Uiso 1 1 calc R . .
C22 C 0.1070(2) -0.1880(3) 0.8971(5) 0.0529(18) Uani 1 1 d . . .
H22 H 0.0833 -0.2140 0.8859 0.063 Uiso 1 1 calc R . .
C23 C 0.10628(19) -0.1158(3) 0.8761(4) 0.0432(15) Uani 1 1 d . . .
H23 H 0.0824 -0.0932 0.8506 0.052 Uiso 1 1 calc R . .
C24 C 0.11589(16) 0.0302(3) 0.7997(3) 0.0323(13) Uani 1 1 d . . .
H24 H 0.0998 -0.0007 0.7596 0.039 Uiso 1 1 calc R . .
C25 C 0.11526(15) 0.1030(3) 0.7844(3) 0.0283(12) Uani 1 1 d . . .
C26 C 0.09125(16) 0.1402(3) 0.7092(4) 0.0342(13) Uani 1 1 d . . .
C27 C 0.06618(17) 0.1045(3) 0.6429(4) 0.0411(15) Uani 1 1 d . . .
H27 H 0.0627 0.0539 0.6452 0.049 Uiso 1 1 calc R . .
C28 C 0.04628(19) 0.1438(4) 0.5736(4) 0.0529(17) Uani 1 1 d . . .
H28 H 0.0293 0.1204 0.5273 0.063 Uiso 1 1 calc R . .
C29 C 0.0514(2) 0.2171(4) 0.5727(5) 0.062(2) Uani 1 1 d . . .
H29 H 0.0383 0.2451 0.5257 0.074 Uiso 1 1 calc R . .
C30 C 0.0759(2) 0.2493(4) 0.6414(5) 0.059(2) Uani 1 1 d . . .
H30 H 0.0790 0.3001 0.6412 0.071 Uiso 1 1 calc R . .
C31 C 0.20052(18) 0.2106(3) 0.7136(4) 0.0424(15) Uani 1 1 d . . .
H31 H 0.1956 0.1617 0.7248 0.051 Uiso 1 1 calc R . .
C32 C 0.2275(2) 0.2247(4) 0.6701(4) 0.0508(17) Uani 1 1 d . . .
H32 H 0.2413 0.1868 0.6509 0.061 Uiso 1 1 calc R . .
C33 C 0.23461(19) 0.2957(4) 0.6540(4) 0.0502(17) Uani 1 1 d . . .
H33 H 0.2537 0.3076 0.6240 0.060 Uiso 1 1 calc R . .
C34 C 0.21348(17) 0.3500(3) 0.6822(4) 0.0400(14) Uani 1 1 d . . .
H34 H 0.2181 0.3991 0.6717 0.048 Uiso 1 1 calc R . .
C35 C 0.18632(16) 0.3315(3) 0.7247(3) 0.0325(13) Uani 1 1 d . . .
C36 C 0.16180(15) 0.3852(3) 0.7570(3) 0.0284(12) Uani 1 1 d . . .
C37 C 0.16282(16) 0.4577(3) 0.7420(3) 0.0296(12) Uani 1 1 d . . .
H37 H 0.1807 0.4764 0.7123 0.036 Uiso 1 1 calc R . .
C38 C 0.13763(15) 0.5043(3) 0.7703(3) 0.0304(12) Uani 1 1 d . . .
C39 C 0.13730(16) 0.5814(3) 0.7521(3) 0.0323(13) Uani 1 1 d . . .
C40 C 0.17125(17) 0.6189(3) 0.7507(4) 0.0399(14) Uani 1 1 d . . .
H40 H 0.1954 0.5944 0.7627 0.048 Uiso 1 1 calc R . .
C41 C 0.1698(2) 0.6905(3) 0.7323(4) 0.0478(16) Uani 1 1 d . . .
H41 H 0.1933 0.7154 0.7336 0.057 Uiso 1 1 calc R . .
C42 C 0.1353(2) 0.7281(3) 0.7118(4) 0.0467(16) Uani 1 1 d . . .
C43 C 0.1346(2) 0.8085(3) 0.6878(5) 0.064(2) Uani 1 1 d . . .
H43A H 0.1370 0.8133 0.6292 0.097 Uiso 1 1 calc R . .
H43B H 0.1563 0.8333 0.7259 0.097 Uiso 1 1 calc R . .
H43C H 0.1101 0.8299 0.6932 0.097 Uiso 1 1 calc R . .
C44 C 0.10150(19) 0.6918(3) 0.7110(4) 0.0502(17) Uani 1 1 d . . .
H44 H 0.0774 0.7165 0.6962 0.060 Uiso 1 1 calc R . .
C45 C 0.10241(18) 0.6192(3) 0.7317(4) 0.0431(15) Uani 1 1 d . . .
H45 H 0.0789 0.5949 0.7320 0.052 Uiso 1 1 calc R . .
C46 C 0.11373(16) 0.4741(3) 0.8182(3) 0.0310(12) Uani 1 1 d . . .
H46 H 0.0971 0.5043 0.8411 0.037 Uiso 1 1 calc R . .
C47 C 0.11405(16) 0.4009(3) 0.8324(3) 0.0313(12) Uani 1 1 d . . .
C48 C 0.08959(16) 0.3633(3) 0.8822(3) 0.0324(13) Uani 1 1 d . . .
C49 C 0.06592(18) 0.3989(3) 0.9242(4) 0.0444(15) Uani 1 1 d . . .
H49 H 0.0633 0.4498 0.9201 0.053 Uiso 1 1 calc R . .
C50 C 0.0457(2) 0.3596(4) 0.9730(4) 0.0587(19) Uani 1 1 d . . .
H50 H 0.0291 0.3833 1.0025 0.070 Uiso 1 1 calc R . .
C51 C 0.0501(2) 0.2871(4) 0.9777(5) 0.062(2) Uani 1 1 d . . .
H51 H 0.0373 0.2593 1.0119 0.075 Uiso 1 1 calc R . .
C52 C 0.0738(2) 0.2538(4) 0.9313(5) 0.0564(19) Uani 1 1 d . . .
H52 H 0.0758 0.2028 0.9321 0.068 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'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
N1 Cu1 N1 175.8(4) 2_657 . ?
N1 Cu1 Cu2 92.1(2) 2_657 . ?
N1 Cu1 Cu2 92.1(2) . . ?
C1 Cu2 C1 177.1(5) 2_657 . ?
C1 Cu2 Cu1 88.5(2) 2_657 . ?
C1 Cu2 Cu1 88.5(2) . . ?
C2 Cu3 C3 132.1(3) . . ?
C2 Cu3 N2 113.8(3) . . ?
C3 Cu3 N2 113.9(2) . . ?
N3 Cu4 C4 112.5(2) . . ?
N3 Cu4 N4 135.5(2) . . ?
C4 Cu4 N4 111.6(2) . . ?
C6 Cu5 N5 136.6(2) . . ?
C6 Cu5 C5 111.6(2) . . ?
N5 Cu5 C5 111.4(2) . . ?
N6 Cu6 N7 132.1(2) . . ?
N6 Cu6 C8 114.7(2) . . ?
N7 Cu6 C8 113.1(3) . . ?
C7 Cu7 C7 177.1(4) 2 . ?
C7 Cu7 Cu8 91.5(2) 2 5_576 ?
C7 Cu7 Cu8 91.5(2) . 5_576 ?
N8 Cu8 N8 176.4(4) . 2_556 ?
N8 Cu8 Cu7 88.2(2) . 5_576 ?
N8 Cu8 Cu7 88.2(2) 2_556 5_576 ?
N10 Mn1 N13 177.53(19) . . ?
N10 Mn1 N11 77.77(18) . . ?
N13 Mn1 N11 104.27(18) . . ?
N10 Mn1 N9 78.59(17) . . ?
N13 Mn1 N9 99.36(17) . . ?
N11 Mn1 N9 156.37(17) . . ?
N10 Mn1 N14 103.59(18) . . ?
N13 Mn1 N14 77.65(18) . . ?
N11 Mn1 N14 96.65(19) . . ?
N9 Mn1 N14 88.72(19) . . ?
N10 Mn1 N12 101.50(18) . . ?
N13 Mn1 N12 77.26(17) . . ?
N11 Mn1 N12 89.01(18) . . ?
N9 Mn1 N12 95.84(18) . . ?
N14 Mn1 N12 154.91(17) . . ?
C2 N1 Cu1 176.7(6) 5_677 . ?
C1 N2 Cu3 167.9(6) . . ?
C3 N3 Cu4 174.6(6) . . ?
C5 N4 Cu4 172.5(6) 6_576 . ?
C4 N5 Cu5 169.1(5) . . ?
C6 N6 Cu6 177.9(5) . . ?
C7 N7 Cu6 176.6(6) . . ?
C8 N8 Cu8 171.6(7) . . ?
C9 N9 C13 118.2(5) . . ?
C9 N9 Mn1 129.2(4) . . ?
C13 N9 Mn1 112.5(3) . . ?
C14 N10 C25 119.3(4) . . ?
C14 N10 Mn1 120.3(3) . . ?
C25 N10 Mn1 120.4(3) . . ?
C26 N11 C30 118.1(5) . . ?
C26 N11 Mn1 114.0(4) . . ?
C30 N11 Mn1 127.9(4) . . ?
C35 N12 C31 117.5(5) . . ?
C35 N12 Mn1 112.8(4) . . ?
C31 N12 Mn1 129.6(4) . . ?
C36 N13 C47 119.4(5) . . ?
C36 N13 Mn1 120.8(4) . . ?
C47 N13 Mn1 119.8(4) . . ?
C48 N14 C52 118.7(6) . . ?
C48 N14 Mn1 113.4(4) . . ?
C52 N14 Mn1 127.8(4) . . ?
N2 C1 Cu2 170.2(7) . . ?
N1 C2 Cu3 177.7(6) 5_677 . ?
N3 C3 Cu3 177.7(6) . . ?
N5 C4 Cu4 165.5(5) . . ?
N4 C5 Cu5 174.0(7) 6_575 . ?
N6 C6 Cu5 175.4(6) . . ?
N7 C7 Cu7 176.2(6) . . ?
N8 C8 Cu6 169.4(7) . . ?
N9 C9 C10 123.2(6) . . ?
N9 C9 H9 118.4 . . ?
C10 C9 H9 118.4 . . ?
C9 C10 C11 118.9(6) . . ?
C9 C10 H10 120.5 . . ?
C11 C10 H10 120.5 . . ?
C10 C11 C12 118.5(6) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
C13 C12 C11 119.0(5) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
N9 C13 C12 122.2(5) . . ?
N9 C13 C14 114.7(5) . . ?
C12 C13 C14 123.1(5) . . ?
N10 C14 C15 121.6(5) . . ?
N10 C14 C13 113.9(5) . . ?
C15 C14 C13 124.5(5) . . ?
C14 C15 C16 120.2(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C24 C16 C15 116.9(5) . . ?
C24 C16 C17 123.1(5) . . ?
C15 C16 C17 120.0(5) . . ?
C18 C17 C23 118.2(5) . . ?
C18 C17 C16 121.7(5) . . ?
C23 C17 C16 120.1(5) . . ?
C19 C18 C17 121.4(6) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C20 120.3(6) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C22 C20 C19 117.7(6) . . ?
C22 C20 C21 122.2(6) . . ?
C19 C20 C21 120.1(6) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 C23 122.3(6) . . ?
C20 C22 H22 118.8 . . ?
C23 C22 H22 118.8 . . ?
C22 C23 C17 120.1(6) . . ?
C22 C23 H23 120.0 . . ?
C17 C23 H23 120.0 . . ?
C25 C24 C16 121.4(5) . . ?
C25 C24 H24 119.3 . . ?
C16 C24 H24 119.3 . . ?
N10 C25 C24 120.6(5) . . ?
N10 C25 C26 113.3(5) . . ?
C24 C25 C26 126.1(5) . . ?
N11 C26 C27 122.1(5) . . ?
N11 C26 C25 114.4(5) . . ?
C27 C26 C25 123.4(5) . . ?
C28 C27 C26 119.1(6) . . ?
C28 C27 H27 120.5 . . ?
C26 C27 H27 120.5 . . ?
C29 C28 C27 119.1(6) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C28 C29 C30 118.8(6) . . ?
C28 C29 H29 120.6 . . ?
C30 C29 H29 120.6 . . ?
N11 C30 C29 122.8(6) . . ?
N11 C30 H30 118.6 . . ?
C29 C30 H30 118.6 . . ?
C32 C31 N12 123.7(6) . . ?
C32 C31 H31 118.1 . . ?
N12 C31 H31 118.1 . . ?
C31 C32 C33 118.1(6) . . ?
C31 C32 H32 121.0 . . ?
C33 C32 H32 121.0 . . ?
C32 C33 C34 119.4(6) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 119.1(6) . . ?
C35 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
N12 C35 C34 122.1(5) . . ?
N12 C35 C36 114.4(5) . . ?
C34 C35 C36 123.5(5) . . ?
N13 C36 C37 121.9(5) . . ?
N13 C36 C35 114.7(5) . . ?
C37 C36 C35 123.4(5) . . ?
C36 C37 C38 120.3(5) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C46 C38 C37 117.0(5) . . ?
C46 C38 C39 122.0(5) . . ?
C37 C38 C39 121.0(5) . . ?
C45 C39 C40 117.9(5) . . ?
C45 C39 C38 120.3(5) . . ?
C40 C39 C38 121.8(5) . . ?
C41 C40 C39 120.2(6) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C40 C41 C42 122.1(6) . . ?
C40 C41 H41 118.9 . . ?
C42 C41 H41 118.9 . . ?
C44 C42 C41 118.5(6) . . ?
C44 C42 C43 120.8(6) . . ?
C41 C42 C43 120.7(6) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 C45 120.3(6) . . ?
C42 C44 H44 119.9 . . ?
C45 C44 H44 119.9 . . ?
C44 C45 C39 121.0(6) . . ?
C44 C45 H45 119.5 . . ?
C39 C45 H45 119.5 . . ?
C47 C46 C38 120.4(5) . . ?
C47 C46 H46 119.8 . . ?
C38 C46 H46 119.8 . . ?
N13 C47 C46 120.8(5) . . ?
N13 C47 C48 114.5(5) . . ?
C46 C47 C48 124.7(5) . . ?
N14 C48 C49 122.1(5) . . ?
N14 C48 C47 114.7(5) . . ?
C49 C48 C47 123.2(5) . . ?
C48 C49 C50 119.3(6) . . ?
C48 C49 H49 120.3 . . ?
C50 C49 H49 120.3 . . ?
C51 C50 C49 118.8(7) . . ?
C51 C50 H50 120.6 . . ?
C49 C50 H50 120.6 . . ?
C50 C51 C52 119.0(7) . . ?
C50 C51 H51 120.5 . . ?
C52 C51 H51 120.5 . . ?
N14 C52 C51 121.9(6) . . ?
N14 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
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
Cu1 N1 1.857(7) 2_657 ?
Cu1 N1 1.857(7) . ?
Cu1 Cu2 3.045(2) . ?
Cu2 C1 1.843(7) 2_657 ?
Cu2 C1 1.843(7) . ?
Cu3 C2 1.866(6) . ?
Cu3 C3 1.881(6) . ?
Cu3 N2 1.998(7) . ?
Cu4 N3 1.926(7) . ?
Cu4 C4 1.952(5) . ?
Cu4 N4 1.967(9) . ?
Cu5 C6 1.888(6) . ?
Cu5 N5 1.926(7) . ?
Cu5 C5 1.927(6) . ?
Cu6 N6 1.909(6) . ?
Cu6 N7 1.919(7) . ?
Cu6 C8 1.946(6) . ?
Cu7 C7 1.815(6) 2 ?
Cu7 C7 1.815(6) . ?
Cu7 Cu8 2.989(2) 5_576 ?
Cu8 N8 1.904(8) . ?
Cu8 N8 1.904(8) 2_556 ?
Cu8 Cu7 2.989(2) 5_576 ?
Mn1 N10 1.946(4) . ?
Mn1 N13 1.972(4) . ?
Mn1 N11 2.151(5) . ?
Mn1 N9 2.153(5) . ?
Mn1 N14 2.191(5) . ?
Mn1 N12 2.204(5) . ?
N1 C2 1.151(9) 5_677 ?
N2 C1 1.135(9) . ?
N3 C3 1.156(8) . ?
N4 C5 1.116(9) 6_576 ?
N5 C4 1.146(8) . ?
N6 C6 1.165(8) . ?
N7 C7 1.139(8) . ?
N8 C8 1.118(9) . ?
N9 C9 1.348(7) . ?
N9 C13 1.358(7) . ?
N10 C14 1.351(7) . ?
N10 C25 1.367(7) . ?
N11 C26 1.334(7) . ?
N11 C30 1.358(8) . ?
N12 C35 1.346(7) . ?
N12 C31 1.364(7) . ?
N13 C36 1.340(7) . ?
N13 C47 1.364(7) . ?
N14 C48 1.335(7) . ?
N14 C52 1.339(8) . ?
C2 N1 1.151(9) 5_677 ?
C5 N4 1.116(9) 6_575 ?
C9 C10 1.360(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.393(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.407(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.368(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.485(7) . ?
C14 C15 1.378(7) . ?
C15 C16 1.405(7) . ?
C15 H15 0.9500 . ?
C16 C24 1.389(7) . ?
C16 C17 1.469(7) . ?
C17 C18 1.384(8) . ?
C17 C23 1.389(8) . ?
C18 C19 1.378(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.405(9) . ?
C19 H19 0.9500 . ?
C20 C22 1.365(9) . ?
C20 C21 1.516(9) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.382(8) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.373(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.484(7) . ?
C26 C27 1.391(8) . ?
C27 C28 1.387(8) . ?
C27 H27 0.9500 . ?
C28 C29 1.375(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.377(10) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.345(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(10) . ?
C32 H32 0.9500 . ?
C33 C34 1.396(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.357(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.499(7) . ?
C36 C37 1.370(7) . ?
C37 C38 1.399(7) . ?
C37 H37 0.9500 . ?
C38 C46 1.398(8) . ?
C38 C39 1.462(7) . ?
C39 C45 1.393(8) . ?
C39 C40 1.397(8) . ?
C40 C41 1.360(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.381(9) . ?
C41 H41 0.9500 . ?
C42 C44 1.373(9) . ?
C42 C43 1.542(8) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.388(8) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.379(8) . ?
C46 H46 0.9500 . ?
C47 C48 1.493(7) . ?
C48 C49 1.372(8) . ?
C49 C50 1.396(9) . ?
C49 H49 0.9500 . ?
C50 C51 1.357(10) . ?
C50 H50 0.9500 . ?
C51 C52 1.400(10) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
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
N1 Cu1 Cu2 C1 -65.4(3) 2_657 . . 2_657 ?
N1 Cu1 Cu2 C1 114.6(3) . . . 2_657 ?
N1 Cu1 Cu2 C1 114.6(3) 2_657 . . . ?
N1 Cu1 Cu2 C1 -65.4(3) . . . . ?
N1 Cu1 N1 C2 -51(12) 2_657 . . 5_677 ?
Cu2 Cu1 N1 C2 129(12) . . . 5_677 ?
C2 Cu3 N2 C1 109(3) . . . . ?
C3 Cu3 N2 C1 -67(3) . . . . ?
C4 Cu4 N3 C3 -109(6) . . . . ?
N4 Cu4 N3 C3 63(6) . . . . ?
N3 Cu4 N4 C5 -161(5) . . . 6_576 ?
C4 Cu4 N4 C5 11(6) . . . 6_576 ?
C6 Cu5 N5 C4 121(3) . . . . ?
C5 Cu5 N5 C4 -52(3) . . . . ?
N7 Cu6 N6 C6 -159(16) . . . . ?
C8 Cu6 N6 C6 26(16) . . . . ?
N6 Cu6 N7 C7 -142(10) . . . . ?
C8 Cu6 N7 C7 33(10) . . . . ?
N8 Cu8 N8 C8 15(5) 2_556 . . . ?
Cu7 Cu8 N8 C8 15(5) 5_576 . . . ?
N10 Mn1 N9 C9 -175.8(6) . . . . ?
N13 Mn1 N9 C9 5.6(6) . . . . ?
N11 Mn1 N9 C9 -175.5(5) . . . . ?
N14 Mn1 N9 C9 -71.7(5) . . . . ?
N12 Mn1 N9 C9 83.6(5) . . . . ?
N10 Mn1 N9 C13 -0.1(4) . . . . ?
N13 Mn1 N9 C13 -178.7(4) . . . . ?
N11 Mn1 N9 C13 0.2(7) . . . . ?
N14 Mn1 N9 C13 104.0(4) . . . . ?
N12 Mn1 N9 C13 -100.7(4) . . . . ?
N13 Mn1 N10 C14 33(5) . . . . ?
N11 Mn1 N10 C14 178.8(4) . . . . ?
N9 Mn1 N10 C14 -1.3(4) . . . . ?
N14 Mn1 N10 C14 -87.2(4) . . . . ?
N12 Mn1 N10 C14 92.4(4) . . . . ?
N13 Mn1 N10 C25 -146(4) . . . . ?
N11 Mn1 N10 C25 -0.2(4) . . . . ?
N9 Mn1 N10 C25 179.6(4) . . . . ?
N14 Mn1 N10 C25 93.8(4) . . . . ?
N12 Mn1 N10 C25 -86.6(4) . . . . ?
N10 Mn1 N11 C26 0.2(4) . . . . ?
N13 Mn1 N11 C26 178.8(4) . . . . ?
N9 Mn1 N11 C26 -0.2(8) . . . . ?
N14 Mn1 N11 C26 -102.3(4) . . . . ?
N12 Mn1 N11 C26 102.2(4) . . . . ?
N10 Mn1 N11 C30 -177.4(6) . . . . ?
N13 Mn1 N11 C30 1.2(6) . . . . ?
N9 Mn1 N11 C30 -177.7(6) . . . . ?
N14 Mn1 N11 C30 80.1(6) . . . . ?
N12 Mn1 N11 C30 -75.4(6) . . . . ?
N10 Mn1 N12 C35 -175.3(4) . . . . ?
N13 Mn1 N12 C35 2.5(4) . . . . ?
N11 Mn1 N12 C35 107.4(4) . . . . ?
N9 Mn1 N12 C35 -95.8(4) . . . . ?
N14 Mn1 N12 C35 3.7(7) . . . . ?
N10 Mn1 N12 C31 3.2(5) . . . . ?
N13 Mn1 N12 C31 -179.0(5) . . . . ?
N11 Mn1 N12 C31 -74.1(5) . . . . ?
N9 Mn1 N12 C31 82.7(5) . . . . ?
N14 Mn1 N12 C31 -177.8(5) . . . . ?
N10 Mn1 N13 C36 58(4) . . . . ?
N11 Mn1 N13 C36 -87.6(4) . . . . ?
N9 Mn1 N13 C36 92.0(4) . . . . ?
N14 Mn1 N13 C36 178.6(4) . . . . ?
N12 Mn1 N13 C36 -1.9(4) . . . . ?
N10 Mn1 N13 C47 -121(4) . . . . ?
N11 Mn1 N13 C47 93.5(4) . . . . ?
N9 Mn1 N13 C47 -86.9(4) . . . . ?
N14 Mn1 N13 C47 -0.3(4) . . . . ?
N12 Mn1 N13 C47 179.1(4) . . . . ?
N10 Mn1 N14 C48 177.1(4) . . . . ?
N13 Mn1 N14 C48 -0.7(4) . . . . ?
N11 Mn1 N14 C48 -103.9(4) . . . . ?
N9 Mn1 N14 C48 99.2(4) . . . . ?
N12 Mn1 N14 C48 -1.9(7) . . . . ?
N10 Mn1 N14 C52 1.0(6) . . . . ?
N13 Mn1 N14 C52 -176.8(6) . . . . ?
N11 Mn1 N14 C52 80.0(6) . . . . ?
N9 Mn1 N14 C52 -77.0(6) . . . . ?
N12 Mn1 N14 C52 -178.0(5) . . . . ?
Cu3 N2 C1 Cu2 3(7) . . . . ?
C1 Cu2 C1 N2 -15(4) 2_657 . . . ?
Cu1 Cu2 C1 N2 -15(4) . . . . ?
C3 Cu3 C2 N1 151(16) . . . 5_677 ?
N2 Cu3 C2 N1 -25(16) . . . 5_677 ?
Cu4 N3 C3 Cu3 -37(19) . . . . ?
C2 Cu3 C3 N3 157(15) . . . . ?
N2 Cu3 C3 N3 -28(15) . . . . ?
Cu5 N5 C4 Cu4 -30(5) . . . . ?
N3 Cu4 C4 N5 74(2) . . . . ?
N4 Cu4 C4 N5 -100(2) . . . . ?
C6 Cu5 C5 N4 -61(7) . . . 6_575 ?
N5 Cu5 C5 N4 113(7) . . . 6_575 ?
Cu6 N6 C6 Cu5 64(19) . . . . ?
N5 Cu5 C6 N6 -102(7) . . . . ?
C5 Cu5 C6 N6 70(7) . . . . ?
Cu6 N7 C7 Cu7 -12(19) . . . . ?
C7 Cu7 C7 N7 -89(10) 2 . . . ?
Cu8 Cu7 C7 N7 91(10) 5_576 . . . ?
Cu8 N8 C8 Cu6 2(8) . . . . ?
N6 Cu6 C8 N8 60(4) . . . . ?
N7 Cu6 C8 N8 -116(4) . . . . ?
C13 N9 C9 C10 1.3(10) . . . . ?
Mn1 N9 C9 C10 176.8(5) . . . . ?
N9 C9 C10 C11 -0.8(10) . . . . ?
C9 C10 C11 C12 0.3(10) . . . . ?
C10 C11 C12 C13 -0.3(9) . . . . ?
C9 N9 C13 C12 -1.3(9) . . . . ?
Mn1 N9 C13 C12 -177.6(4) . . . . ?
C9 N9 C13 C14 177.6(5) . . . . ?
Mn1 N9 C13 C14 1.4(6) . . . . ?
C11 C12 C13 N9 0.8(9) . . . . ?
C11 C12 C13 C14 -178.0(5) . . . . ?
C25 N10 C14 C15 -0.2(8) . . . . ?
Mn1 N10 C14 C15 -179.3(4) . . . . ?
C25 N10 C14 C13 -178.5(5) . . . . ?
Mn1 N10 C14 C13 2.4(6) . . . . ?
N9 C13 C14 N10 -2.4(7) . . . . ?
C12 C13 C14 N10 176.5(5) . . . . ?
N9 C13 C14 C15 179.3(5) . . . . ?
C12 C13 C14 C15 -1.8(9) . . . . ?
N10 C14 C15 C16 -2.1(8) . . . . ?
C13 C14 C15 C16 176.0(5) . . . . ?
C14 C15 C16 C24 3.1(8) . . . . ?
C14 C15 C16 C17 -177.4(5) . . . . ?
C24 C16 C17 C18 142.7(6) . . . . ?
C15 C16 C17 C18 -36.8(8) . . . . ?
C24 C16 C17 C23 -40.4(8) . . . . ?
C15 C16 C17 C23 140.1(6) . . . . ?
C23 C17 C18 C19 1.6(9) . . . . ?
C16 C17 C18 C19 178.5(6) . . . . ?
C17 C18 C19 C20 -0.9(10) . . . . ?
C18 C19 C20 C22 -0.4(10) . . . . ?
C18 C19 C20 C21 -177.6(7) . . . . ?
C19 C20 C22 C23 1.0(11) . . . . ?
C21 C20 C22 C23 178.2(7) . . . . ?
C20 C22 C23 C17 -0.3(11) . . . . ?
C18 C17 C23 C22 -1.0(9) . . . . ?
C16 C17 C23 C22 -178.0(6) . . . . ?
C15 C16 C24 C25 -1.9(8) . . . . ?
C17 C16 C24 C25 178.6(5) . . . . ?
C14 N10 C25 C24 1.5(8) . . . . ?
Mn1 N10 C25 C24 -179.5(4) . . . . ?
C14 N10 C25 C26 -178.9(5) . . . . ?
Mn1 N10 C25 C26 0.2(6) . . . . ?
C16 C24 C25 N10 -0.4(8) . . . . ?
C16 C24 C25 C26 180.0(5) . . . . ?
C30 N11 C26 C27 -1.9(9) . . . . ?
Mn1 N11 C26 C27 -179.7(4) . . . . ?
C30 N11 C26 C25 177.7(6) . . . . ?
Mn1 N11 C26 C25 -0.2(6) . . . . ?
N10 C25 C26 N11 0.0(7) . . . . ?
C24 C25 C26 N11 179.7(5) . . . . ?
N10 C25 C26 C27 179.5(5) . . . . ?
C24 C25 C26 C27 -0.8(9) . . . . ?
N11 C26 C27 C28 2.4(9) . . . . ?
C25 C26 C27 C28 -177.1(6) . . . . ?
C26 C27 C28 C29 -1.0(10) . . . . ?
C27 C28 C29 C30 -0.7(11) . . . . ?
C26 N11 C30 C29 0.1(11) . . . . ?
Mn1 N11 C30 C29 177.6(6) . . . . ?
C28 C29 C30 N11 1.2(12) . . . . ?
C35 N12 C31 C32 1.6(9) . . . . ?
Mn1 N12 C31 C32 -176.9(5) . . . . ?
N12 C31 C32 C33 0.1(10) . . . . ?
C31 C32 C33 C34 -0.8(10) . . . . ?
C32 C33 C34 C35 -0.1(9) . . . . ?
C31 N12 C35 C34 -2.6(8) . . . . ?
Mn1 N12 C35 C34 176.1(5) . . . . ?
C31 N12 C35 C36 178.6(5) . . . . ?
Mn1 N12 C35 C36 -2.6(6) . . . . ?
C33 C34 C35 N12 1.9(9) . . . . ?
C33 C34 C35 C36 -179.4(5) . . . . ?
C47 N13 C36 C37 -1.7(8) . . . . ?
Mn1 N13 C36 C37 179.4(4) . . . . ?
C47 N13 C36 C35 -180.0(4) . . . . ?
Mn1 N13 C36 C35 1.1(6) . . . . ?
N12 C35 C36 N13 1.2(7) . . . . ?
C34 C35 C36 N13 -177.5(5) . . . . ?
N12 C35 C36 C37 -177.0(5) . . . . ?
C34 C35 C36 C37 4.2(9) . . . . ?
N13 C36 C37 C38 -1.5(8) . . . . ?
C35 C36 C37 C38 176.6(5) . . . . ?
C36 C37 C38 C46 3.9(8) . . . . ?
C36 C37 C38 C39 -177.6(5) . . . . ?
C46 C38 C39 C45 -40.5(8) . . . . ?
C37 C38 C39 C45 141.1(6) . . . . ?
C46 C38 C39 C40 142.3(6) . . . . ?
C37 C38 C39 C40 -36.1(8) . . . . ?
C45 C39 C40 C41 1.8(9) . . . . ?
C38 C39 C40 C41 179.1(6) . . . . ?
C39 C40 C41 C42 -2.2(10) . . . . ?
C40 C41 C42 C44 0.8(11) . . . . ?
C40 C41 C42 C43 -177.6(7) . . . . ?
C41 C42 C44 C45 0.9(10) . . . . ?
C43 C42 C44 C45 179.2(6) . . . . ?
C42 C44 C45 C39 -1.2(10) . . . . ?
C40 C39 C45 C44 -0.2(9) . . . . ?
C38 C39 C45 C44 -177.5(6) . . . . ?
C37 C38 C46 C47 -3.2(8) . . . . ?
C39 C38 C46 C47 178.3(5) . . . . ?
C36 N13 C47 C46 2.4(7) . . . . ?
Mn1 N13 C47 C46 -178.7(4) . . . . ?
C36 N13 C47 C48 -177.8(4) . . . . ?
Mn1 N13 C47 C48 1.2(6) . . . . ?
C38 C46 C47 N13 0.1(8) . . . . ?
C38 C46 C47 C48 -179.7(5) . . . . ?
C52 N14 C48 C49 0.7(9) . . . . ?
Mn1 N14 C48 C49 -175.8(5) . . . . ?
C52 N14 C48 C47 178.0(6) . . . . ?
Mn1 N14 C48 C47 1.4(6) . . . . ?
N13 C47 C48 N14 -1.7(7) . . . . ?
C46 C47 C48 N14 178.1(5) . . . . ?
N13 C47 C48 C49 175.5(5) . . . . ?
C46 C47 C48 C49 -4.6(9) . . . . ?
N14 C48 C49 C50 0.5(9) . . . . ?
C47 C48 C49 C50 -176.5(6) . . . . ?
C48 C49 C50 C51 0.2(10) . . . . ?
C49 C50 C51 C52 -2.0(11) . . . . ?
C48 N14 C52 C51 -2.7(10) . . . . ?
Mn1 N14 C52 C51 173.3(5) . . . . ?
C50 C51 C52 N14 3.4(12) . . . . ?
