#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/18/2231840.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2231840
loop_
_publ_author_name
'Li, Kang-kang'
'Zhang, Chun'
'Xu, Wei'
_publ_section_title
;
 μ-Oxalato-bis[bis(2,2'-bipyridine)manganese(II)] bis(perchlorate)
 2,2'-bipyridine solvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1443
_journal_page_last               m1444
_journal_paper_doi               10.1107/S1600536811038475
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Mn2 (C2 O4) (C10 H8 N2)4] (Cl O4)2, C10 H8 N2'
_chemical_formula_moiety         'C42 H32 Mn2 N8 O4 2+, 2(Cl O4 -), C10 H8 N2'
_chemical_formula_sum            'C52 H40 Cl2 Mn2 N10 O12'
_chemical_formula_weight         1177.72
_chemical_name_systematic
;
μ-Oxalato-bis[bis(2,2'-bipyridine)manganese(II)] bis(perchlorate)
2,2'-bipyridine solvate
;
_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-97
_cell_angle_alpha                98.87(3)
_cell_angle_beta                 102.73(3)
_cell_angle_gamma                98.89(3)
_cell_formula_units_Z            1
_cell_length_a                   9.4959(19)
_cell_length_b                   11.974(2)
_cell_length_c                   12.183(2)
_cell_measurement_reflns_used    12924
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.09
_cell_volume                     1309.3(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'ω 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  0.0713
_diffrn_reflns_av_sigmaI/netI    0.1039
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12924
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.657
_exptl_absorpt_correction_T_max  0.949
_exptl_absorpt_correction_T_min  0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             602
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.640
_refine_ls_extinction_coef       0.012(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         5884
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1815
_refine_ls_R_factor_gt           0.0719
_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)+(0.0890P)²+0.5905P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.2213
_reflns_number_gt                2595
_reflns_number_total             5884
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            bv2191.cif
_cod_data_source_block           I
_cod_original_cell_volume        1309.3(4)
_cod_database_code               2231840
_cod_database_fobs_code          2231840
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn Mn 0.77417(7) 0.80535(6) 0.43285(6) 0.0524(2) Uani d . 1 1 . .
O O1 1.0049(3) 0.8552(3) 0.5191(3) 0.0646(9) Uani d . 1 1 . .
O O2 0.8238(4) 0.9833(3) 0.4166(3) 0.0656(10) Uani d . 1 1 . .
N N1 0.5323(4) 0.7980(3) 0.3806(3) 0.0528(10) Uani d . 1 1 . .
N N2 0.7025(4) 0.8552(3) 0.5946(3) 0.0518(10) Uani d . 1 1 . .
N N3 0.8122(4) 0.7399(4) 0.2610(3) 0.0575(11) Uani d . 1 1 . .
N N4 0.7828(5) 0.6195(3) 0.4244(4) 0.0612(11) Uani d . 1 1 . .
C C1 1.0521(5) 0.9651(5) 0.5285(4) 0.0559(12) Uani d . 1 1 . .
C C2 0.4504(5) 0.7646(4) 0.2734(4) 0.0615(14) Uani d . 1 1 . .
H H2A 0.4965 0.7409 0.2165 0.074 Uiso calc R 1 1 . .
C C3 0.3028(5) 0.7630(5) 0.2415(5) 0.0692(16) Uani d . 1 1 . .
H H3A 0.2501 0.7391 0.1652 0.083 Uiso calc R 1 1 . .
C C4 0.2351(6) 0.7973(5) 0.3248(5) 0.0683(15) Uani d . 1 1 . .
H H4A 0.1347 0.7971 0.3060 0.082 Uiso calc R 1 1 . .
C C5 0.3167(5) 0.8326(4) 0.4381(5) 0.0604(14) Uani d . 1 1 . .
H H5A 0.2717 0.8569 0.4956 0.072 Uiso calc R 1 1 . .
C C6 0.4655(4) 0.8313(4) 0.4643(4) 0.0455(11) Uani d . 1 1 . .
C C7 0.5631(5) 0.8696(4) 0.5814(4) 0.0467(11) Uani d . 1 1 . .
C C8 0.5134(6) 0.9182(4) 0.6734(4) 0.0596(13) Uani d . 1 1 . .
H H8A 0.4160 0.9269 0.6633 0.072 Uiso calc R 1 1 . .
C C9 0.6107(6) 0.9531(5) 0.7790(5) 0.0719(15) Uani d . 1 1 . .
H H9A 0.5794 0.9863 0.8413 0.086 Uiso calc R 1 1 . .
C C10 0.7533(6) 0.9394(5) 0.7935(4) 0.0730(16) Uani d . 1 1 . .
H H10A 0.8200 0.9630 0.8650 0.088 Uiso calc R 1 1 . .
C C11 0.7952(5) 0.8899(5) 0.6999(4) 0.0634(14) Uani d . 1 1 . .
H H11A 0.8920 0.8797 0.7094 0.076 Uiso calc R 1 1 . .
C C12 0.8303(5) 0.8059(5) 0.1841(5) 0.0707(15) Uani d . 1 1 . .
H H12A 0.8101 0.8797 0.1959 0.085 Uiso calc R 1 1 . .
C C13 0.8775(6) 0.7691(6) 0.0886(5) 0.0819(18) Uani d . 1 1 . .
H H13A 0.8916 0.8176 0.0376 0.098 Uiso calc R 1 1 . .
C C14 0.9030(7) 0.6600(6) 0.0704(5) 0.088(2) Uani d . 1 1 . .
H H14A 0.9341 0.6329 0.0058 0.105 Uiso calc R 1 1 . .
C C15 0.8829(6) 0.5888(6) 0.1476(5) 0.0798(17) Uani d . 1 1 . .
H H15A 0.9001 0.5141 0.1354 0.096 Uiso calc R 1 1 . .
C C16 0.8367(5) 0.6314(5) 0.2431(4) 0.0589(13) Uani d . 1 1 . .
C C17 0.8178(5) 0.5641(4) 0.3330(4) 0.0607(13) Uani d . 1 1 . .
C C18 0.8351(7) 0.4510(5) 0.3256(6) 0.0823(17) Uani d . 1 1 . .
H H18A 0.8578 0.4128 0.2612 0.099 Uiso calc R 1 1 . .
C C19 0.8190(8) 0.3959(6) 0.4123(6) 0.101(2) Uani d . 1 1 . .
H H19A 0.8333 0.3205 0.4082 0.121 Uiso calc R 1 1 . .
C C20 0.7821(8) 0.4499(6) 0.5054(6) 0.104(2) Uani d . 1 1 . .
H H20A 0.7685 0.4124 0.5648 0.124 Uiso calc R 1 1 . .
C C21 0.7657(7) 0.5624(5) 0.5081(5) 0.0921(19) Uani d . 1 1 . .
H H21A 0.7414 0.6008 0.5716 0.110 Uiso calc R 1 1 . .
N N5 0.4060(6) 0.5170(4) 0.1117(4) 0.0831(14) Uani d . 1 1 . .
C C22 0.4831(6) 0.4685(4) 0.0451(4) 0.0628(14) Uani d . 1 1 . .
C C23 0.5290(6) 0.3666(5) 0.0573(5) 0.0717(15) Uani d . 1 1 . .
H H23A 0.5821 0.3352 0.0089 0.086 Uiso calc R 1 1 . .
C C24 0.4953(7) 0.3123(6) 0.1416(6) 0.097(2) Uani d . 1 1 . .
H H24A 0.5254 0.2434 0.1514 0.116 Uiso calc R 1 1 . .
C C25 0.4184(8) 0.3597(6) 0.2100(6) 0.100(2) Uani d . 1 1 . .
H H25A 0.3943 0.3242 0.2679 0.120 Uiso calc R 1 1 . .
C C26 0.3756(8) 0.4618(6) 0.1930(6) 0.105(2) Uani d . 1 1 . .
H H26A 0.3225 0.4939 0.2410 0.127 Uiso calc R 1 1 . .
Cl Cl 0.83136(16) 0.15993(14) 0.10897(12) 0.0850(5) Uani d D 1 1 . .
O O3 0.9051(4) 0.0736(3) 0.0794(3) 0.1224(18) Uani d D 1 1 A .
O O4A 0.7113(5) 0.1554(5) 0.0196(4) 0.234(4) Uani d PD 0.852(6) 1 A 1
O O5A 0.9245(6) 0.2664(3) 0.1272(6) 0.264(5) Uani d PD 0.852(6) 1 A 1
O O6A 0.7863(5) 0.1514(5) 0.2073(3) 0.132(2) Uani d PD 0.852(6) 1 A 1
O O4B 0.6882(5) 0.1108(7) 0.1053(9) 0.234(4) Uani d PD 0.148(6) 1 A 2
O O5B 0.8299(12) 0.2336(6) 0.0324(6) 0.264(5) Uani d PD 0.148(6) 1 A 2
O O6B 0.9008(10) 0.2202(7) 0.2182(5) 0.132(2) Uani d PD 0.148(6) 1 A 2
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'
Cl Cl 0.1484 0.1585 '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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Mn O2 . . 77.71(13)
O1 Mn N4 . . 91.32(15)
O2 Mn N4 . . 161.81(14)
O1 Mn N1 . . 163.26(13)
O2 Mn N1 . . 92.48(14)
N4 Mn N1 . . 101.34(15)
O1 Mn N3 . . 94.71(14)
O2 Mn N3 . . 92.97(15)
N4 Mn N3 . . 73.29(16)
N1 Mn N3 . . 99.37(14)
O1 Mn N2 . . 93.27(13)
O2 Mn N2 . . 91.44(14)
N4 Mn N2 . . 103.77(15)
N1 Mn N2 . . 73.22(14)
N3 Mn N2 . . 171.55(14)
C1 O1 Mn . . 111.3(3)
C1 O2 Mn 2_776 . 114.1(3)
C2 N1 C6 . . 118.3(4)
C2 N1 Mn . . 124.4(3)
C6 N1 Mn . . 117.3(3)
C7 N2 C11 . . 118.4(4)
C7 N2 Mn . . 116.4(3)
C11 N2 Mn . . 124.2(3)
C12 N3 C16 . . 119.2(4)
C12 N3 Mn . . 123.9(4)
C16 N3 Mn . . 116.3(3)
C21 N4 C17 . . 118.1(5)
C21 N4 Mn . . 124.2(4)
C17 N4 Mn . . 117.5(3)
O2 C1 O1 2_776 . 123.9(4)
O2 C1 C1 2_776 2_776 117.6(6)
O1 C1 C1 . 2_776 118.5(6)
N1 C2 C3 . . 124.2(5)
N1 C2 H2A . . 117.9
C3 C2 H2A . . 117.9
C4 C3 C2 . . 118.0(5)
C4 C3 H3A . . 121.0
C2 C3 H3A . . 121.0
C3 C4 C5 . . 119.7(5)
C3 C4 H4A . . 120.1
C5 C4 H4A . . 120.1
C6 C5 C4 . . 119.2(5)
C6 C5 H5A . . 120.4
C4 C5 H5A . . 120.4
N1 C6 C5 . . 120.7(4)
N1 C6 C7 . . 115.7(4)
C5 C6 C7 . . 123.6(4)
N2 C7 C8 . . 121.5(4)
N2 C7 C6 . . 116.5(4)
C8 C7 C6 . . 122.0(4)
C9 C8 C7 . . 118.7(5)
C9 C8 H8A . . 120.7
C7 C8 H8A . . 120.7
C10 C9 C8 . . 120.4(5)
C10 C9 H9A . . 119.8
C8 C9 H9A . . 119.8
C9 C10 C11 . . 118.1(5)
C9 C10 H10A . . 120.9
C11 C10 H10A . . 120.9
N2 C11 C10 . . 122.9(5)
N2 C11 H11A . . 118.5
C10 C11 H11A . . 118.5
N3 C12 C13 . . 122.7(6)
N3 C12 H12A . . 118.6
C13 C12 H12A . . 118.6
C14 C13 C12 . . 118.3(6)
C14 C13 H13A . . 120.9
C12 C13 H13A . . 120.9
C13 C14 C15 . . 120.4(6)
C13 C14 H14A . . 119.8
C15 C14 H14A . . 119.8
C16 C15 C14 . . 118.6(6)
C16 C15 H15A . . 120.7
C14 C15 H15A . . 120.7
N3 C16 C15 . . 120.8(5)
N3 C16 C17 . . 116.3(4)
C15 C16 C17 . . 122.8(5)
N4 C17 C18 . . 120.8(5)
N4 C17 C16 . . 116.0(4)
C18 C17 C16 . . 123.2(5)
C19 C18 C17 . . 119.8(6)
C19 C18 H18A . . 120.1
C17 C18 H18A . . 120.1
C18 C19 C20 . . 120.6(6)
C18 C19 H19A . . 119.7
C20 C19 H19A . . 119.7
C19 C20 C21 . . 117.2(6)
C19 C20 H20A . . 121.4
C21 C20 H20A . . 121.4
N4 C21 C20 . . 123.6(6)
N4 C21 H21A . . 118.2
C20 C21 H21A . . 118.2
C26 N5 C22 . . 116.4(5)
N5 C22 C23 . . 123.0(5)
N5 C22 C22 . 2_665 115.8(6)
C23 C22 C22 . 2_665 121.2(6)
C24 C23 C22 . . 119.0(5)
C24 C23 H23A . . 120.5
C22 C23 H23A . . 120.5
C25 C24 C23 . . 119.1(6)
C25 C24 H24A . . 120.5
C23 C24 H24A . . 120.5
C24 C25 C26 . . 118.9(7)
C24 C25 H25A . . 120.5
C26 C25 H25A . . 120.5
N5 C26 C25 . . 123.6(6)
N5 C26 H26A . . 118.2
C25 C26 H26A . . 118.2
O6B Cl O5B . . 109.7(4)
O6A Cl O4A . . 109.8(3)
O6A Cl O3 . . 112.2(3)
O6B Cl O3 . . 109.6(4)
O5B Cl O3 . . 109.6(4)
O4A Cl O3 . . 109.2(3)
O6B Cl O4B . . 109.6(4)
O5B Cl O4B . . 109.4(4)
O3 Cl O4B . . 109.0(4)
O6A Cl O5A . . 108.0(3)
O4A Cl O5A . . 108.3(3)
O3 Cl O5A . . 109.2(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Mn O1 . 2.156(3)
Mn O2 . 2.159(3)
Mn N4 . 2.226(4)
Mn N1 . 2.228(4)
Mn N3 . 2.245(4)
Mn N2 . 2.249(4)
O1 C1 . 1.301(6)
O2 C1 2_776 1.233(5)
N1 C2 . 1.329(6)
N1 C6 . 1.356(5)
N2 C7 . 1.339(5)
N2 C11 . 1.349(6)
N3 C12 . 1.338(6)
N3 C16 . 1.348(6)
N4 C21 . 1.337(7)
N4 C17 . 1.340(6)
C1 O2 2_776 1.233(5)
C1 C1 2_776 1.514(9)
C2 C3 . 1.365(6)
C2 H2A . 0.9300
C3 C4 . 1.361(7)
C3 H3A . 0.9300
C4 C5 . 1.390(7)
C4 H4A . 0.9300
C5 C6 . 1.382(6)
C5 H5A . 0.9300
C6 C7 . 1.480(6)
C7 C8 . 1.391(6)
C8 C9 . 1.370(7)
C8 H8A . 0.9300
C9 C10 . 1.365(7)
C9 H9A . 0.9300
C10 C11 . 1.370(7)
C10 H10A . 0.9300
C11 H11A . 0.9300
C12 C13 . 1.372(8)
C12 H12A . 0.9300
C13 C14 . 1.359(9)
C13 H13A . 0.9300
C14 C15 . 1.387(8)
C14 H14A . 0.9300
C15 C16 . 1.385(7)
C15 H15A . 0.9300
C16 C17 . 1.483(7)
C17 C18 . 1.381(7)
C18 C19 . 1.352(9)
C18 H18A . 0.9300
C19 C20 . 1.359(9)
C19 H19A . 0.9300
C20 C21 . 1.375(8)
C20 H20A . 0.9300
C21 H21A . 0.9300
N5 C26 . 1.330(8)
N5 C22 . 1.333(7)
C22 C23 . 1.376(7)
C22 C22 2_665 1.489(10)
C23 C24 . 1.365(8)
C23 H23A . 0.9300
C24 C25 . 1.342(9)
C24 H24A . 0.9300
C25 C26 . 1.377(9)
C25 H25A . 0.9300
C26 H26A . 0.9300
Cl O6A . 1.371(3)
Cl O6B . 1.378(4)
Cl O5B . 1.378(4)
Cl O4A . 1.380(3)
Cl O3 . 1.382(3)
Cl O4B . 1.383(4)
Cl O5A . 1.391(3)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C5 H5A O1 1_455 0.93 2.61 3.356(6) 137.8
C5 H5A O2 2_676 0.93 2.44 3.243(6) 144.4
C10 H10A O3 1_566 0.93 2.63 3.484(6) 153.4
C18 H18A O5A . 0.93 2.46 3.360(8) 162.4
C23 H23A O4A . 0.93 2.64 3.309(7) 129.0
C11 H11A O6B 2_766 0.93 2.52 3.373(10) 152.0
C14 H14A O5B 2_765 0.93 2.72 3.243(12) 116.8
C18 H18A O5A . 0.93 2.46 3.360(8) 162.4
C18 H18A O5B . 0.93 3.18 4.069(10) 161.0
C19 H19A O6B . 0.93 2.69 3.225(9) 117.3
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O2 Mn O1 C1 . . 6.6(3)
N4 Mn O1 C1 . . 171.9(3)
N1 Mn O1 C1 . . -48.6(7)
N3 Mn O1 C1 . . 98.6(3)
N2 Mn O1 C1 . . -84.2(3)
O1 Mn O2 C1 . 2_776 -7.8(3)
N4 Mn O2 C1 . 2_776 -61.8(6)
N1 Mn O2 C1 . 2_776 158.5(3)
N3 Mn O2 C1 . 2_776 -101.9(3)
N2 Mn O2 C1 . 2_776 85.3(3)
O1 Mn N1 C2 . . 145.5(5)
O2 Mn N1 C2 . . 92.1(4)
N4 Mn N1 C2 . . -76.0(4)
N3 Mn N1 C2 . . -1.4(4)
N2 Mn N1 C2 . . -177.2(4)
O1 Mn N1 C6 . . -33.7(7)
O2 Mn N1 C6 . . -87.2(3)
N4 Mn N1 C6 . . 104.7(3)
N3 Mn N1 C6 . . 179.4(3)
N2 Mn N1 C6 . . 3.6(3)
O1 Mn N2 C7 . . 162.3(3)
O2 Mn N2 C7 . . 84.5(3)
N4 Mn N2 C7 . . -105.6(3)
N1 Mn N2 C7 . . -7.7(3)
N3 Mn N2 C7 . . -37.0(12)
O1 Mn N2 C11 . . -6.0(4)
O2 Mn N2 C11 . . -83.7(4)
N4 Mn N2 C11 . . 86.2(4)
N1 Mn N2 C11 . . -175.9(4)
N3 Mn N2 C11 . . 154.8(9)
O1 Mn N3 C12 . . -88.0(4)
O2 Mn N3 C12 . . -10.1(4)
N4 Mn N3 C12 . . -177.9(4)
N1 Mn N3 C12 . . 82.9(4)
N2 Mn N3 C12 . . 111.3(10)
O1 Mn N3 C16 . . 83.1(3)
O2 Mn N3 C16 . . 161.0(3)
N4 Mn N3 C16 . . -6.8(3)
N1 Mn N3 C16 . . -106.0(3)
N2 Mn N3 C16 . . -77.6(11)
O1 Mn N4 C21 . . 86.3(5)
O2 Mn N4 C21 . . 138.6(5)
N1 Mn N4 C21 . . -82.7(5)
N3 Mn N4 C21 . . -179.2(5)
N2 Mn N4 C21 . . -7.4(5)
O1 Mn N4 C17 . . -88.7(4)
O2 Mn N4 C17 . . -36.4(7)
N1 Mn N4 C17 . . 102.3(4)
N3 Mn N4 C17 . . 5.8(3)
N2 Mn N4 C17 . . 177.6(3)
Mn O1 C1 O2 . 2_776 173.2(4)
Mn O1 C1 C1 . 2_776 -5.2(7)
C6 N1 C2 C3 . . 0.9(8)
Mn N1 C2 C3 . . -178.4(4)
N1 C2 C3 C4 . . -0.2(9)
C2 C3 C4 C5 . . 0.1(8)
C3 C4 C5 C6 . . -0.6(8)
C2 N1 C6 C5 . . -1.4(7)
Mn N1 C6 C5 . . 177.9(3)
C2 N1 C6 C7 . . -178.8(4)
Mn N1 C6 C7 . . 0.4(5)
C4 C5 C6 N1 . . 1.2(7)
C4 C5 C6 C7 . . 178.5(4)
C11 N2 C7 C8 . . -0.5(7)
Mn N2 C7 C8 . . -169.4(3)
C11 N2 C7 C6 . . 179.5(4)
Mn N2 C7 C6 . . 10.6(5)
N1 C6 C7 N2 . . -7.3(6)
C5 C6 C7 N2 . . 175.2(4)
N1 C6 C7 C8 . . 172.6(4)
C5 C6 C7 C8 . . -4.8(7)
N2 C7 C8 C9 . . 0.8(7)
C6 C7 C8 C9 . . -179.1(4)
C7 C8 C9 C10 . . -0.5(8)
C8 C9 C10 C11 . . -0.2(9)
C7 N2 C11 C10 . . -0.2(8)
Mn N2 C11 C10 . . 167.8(4)
C9 C10 C11 N2 . . 0.5(8)
C16 N3 C12 C13 . . -2.0(8)
Mn N3 C12 C13 . . 168.8(4)
N3 C12 C13 C14 . . 1.7(9)
C12 C13 C14 C15 . . -0.6(9)
C13 C14 C15 C16 . . -0.1(9)
C12 N3 C16 C15 . . 1.3(7)
Mn N3 C16 C15 . . -170.3(4)
C12 N3 C16 C17 . . 178.6(4)
Mn N3 C16 C17 . . 7.1(5)
C14 C15 C16 N3 . . -0.2(8)
C14 C15 C16 C17 . . -177.4(5)
C21 N4 C17 C18 . . 0.2(8)
Mn N4 C17 C18 . . 175.6(4)
C21 N4 C17 C16 . . -179.5(5)
Mn N4 C17 C16 . . -4.2(6)
N3 C16 C17 N4 . . -2.0(7)
C15 C16 C17 N4 . . 175.3(5)
N3 C16 C17 C18 . . 178.2(5)
C15 C16 C17 C18 . . -4.4(8)
N4 C17 C18 C19 . . -1.1(9)
C16 C17 C18 C19 . . 178.7(6)
C17 C18 C19 C20 . . 1.7(11)
C18 C19 C20 C21 . . -1.5(11)
C17 N4 C21 C20 . . 0.0(10)
Mn N4 C21 C20 . . -175.0(5)
C19 C20 C21 N4 . . 0.6(11)
C26 N5 C22 C23 . . 0.5(9)
C26 N5 C22 C22 . 2_665 -179.7(6)
N5 C22 C23 C24 . . -0.4(9)
C22 C22 C23 C24 2_665 . 179.9(6)
C22 C23 C24 C25 . . 0.1(10)
C23 C24 C25 C26 . . 0.0(11)
C22 N5 C26 C25 . . -0.4(10)
C24 C25 C26 N5 . . 0.2(12)
