#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/16/2231632.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_2231632
loop_
_publ_author_name
'Ha, Kwang'
_publ_section_title
;
 Diacetato-κO;κ²O,O'-aqua(2,4,6-tri-2-pyridyl-1,3,5-triazine-κ³N²,N¹,N⁶)manganese(II)
 monohydrate
;
_journal_coeditor_code           NG5206
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1238
_journal_page_last               m1239
_journal_paper_doi               10.1107/S1600536811032016
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mn (C2 H3 O2)2 (C18 H12 N6) (H2 O)], H2 O'
_chemical_formula_moiety         'C22 H20 Mn N6 O5, H2 O'
_chemical_formula_sum            'C22 H22 Mn N6 O6'
_chemical_formula_weight         521.40
_chemical_name_systematic
;Diacetato-κO;κ²O,O'-aqua(2,4,6-tri-2-pyridyl-
1,3,5-triazine-κ³N²,N¹,N⁶)manganese(II)
monohydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 118.073(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.341(2)
_cell_length_b                   24.977(5)
_cell_length_c                   9.8284(19)
_cell_measurement_reflns_used    3469
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.22
_cell_measurement_theta_min      2.23
_cell_volume                     2239.9(8)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0677
_diffrn_reflns_av_sigmaI/netI    0.0907
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16577
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.643
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.862558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.494
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1222
_refine_ls_R_factor_gt           0.0559
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0615P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1169
_refine_ls_wR_factor_ref         0.1532
_reflns_number_gt                3076
_reflns_number_total             5548
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng5206.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231632
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Mn Mn1 0.66399(5) 0.120956(18) 0.21934(6) 0.02892(17) Uani d . 1 1
O O1 0.8310(3) 0.12897(9) 0.1302(3) 0.0428(6) Uani d . 1 1
O O2 0.7412(3) 0.04962(9) 0.1291(3) 0.0378(6) Uani d . 1 1
O O3 0.8167(3) 0.11251(10) 0.4552(3) 0.0500(7) Uani d . 1 1
O O4 0.9755(3) 0.09035(13) 0.6912(3) 0.0693(9) Uani d . 1 1
O O5 0.4723(2) 0.13074(8) -0.0166(2) 0.0333(6) Uani d . 1 1
H H5A 0.4289 0.1603 -0.0328 0.050 Uiso d R 1 1
H H5B 0.4083 0.1066 -0.0473 0.050 Uiso d R 1 1
N N1 0.5198(3) 0.16134(10) 0.3098(3) 0.0262(6) Uani d . 1 1
N N2 0.4431(3) 0.23975(10) 0.3854(3) 0.0286(6) Uani d . 1 1
N N3 0.3510(3) 0.15448(10) 0.4067(3) 0.0297(6) Uani d . 1 1
N N4 0.6929(3) 0.21595(10) 0.2323(3) 0.0278(6) Uani d . 1 1
N N5 0.2620(3) 0.28877(11) 0.4719(3) 0.0319(7) Uani d . 1 1
N N6 0.5166(3) 0.05706(10) 0.2655(3) 0.0302(6) Uani d . 1 1
C C1 0.5225(3) 0.21397(12) 0.3310(3) 0.0244(7) Uani d . 1 1
C C2 0.6177(3) 0.24544(12) 0.2864(3) 0.0254(7) Uani d . 1 1
C C3 0.6272(4) 0.30056(12) 0.2985(4) 0.0313(8) Uani d . 1 1
H H3 0.5735 0.3199 0.3384 0.038 Uiso calc R 1 1
C C4 0.7163(4) 0.32668(13) 0.2514(4) 0.0343(8) Uani d . 1 1
H H4 0.7255 0.3645 0.2590 0.041 Uiso calc R 1 1
C C5 0.7919(4) 0.29748(13) 0.1930(4) 0.0351(8) Uani d . 1 1
H H5 0.8521 0.3149 0.1575 0.042 Uiso calc R 1 1
C C6 0.7786(4) 0.24225(13) 0.1872(4) 0.0313(8) Uani d . 1 1
H H6 0.8328 0.2222 0.1493 0.038 Uiso calc R 1 1
C C7 0.3586(3) 0.20828(12) 0.4201(3) 0.0266(7) Uani d . 1 1
C C8 0.2631(4) 0.23502(13) 0.4750(4) 0.0295(7) Uani d . 1 1
C C9 0.1796(4) 0.20573(15) 0.5232(5) 0.0486(10) Uani d . 1 1
H H9 0.1846 0.1677 0.5267 0.058 Uiso calc R 1 1
C C10 0.0883(5) 0.23274(16) 0.5664(5) 0.0549(11) Uani d . 1 1
H H10 0.0292 0.2134 0.5997 0.066 Uiso calc R 1 1
C C11 0.0831(4) 0.28754(15) 0.5611(4) 0.0385(9) Uani d . 1 1
H H11 0.0202 0.3069 0.5893 0.046 Uiso calc R 1 1
C C12 0.1723(4) 0.31367(14) 0.5133(4) 0.0354(8) Uani d . 1 1
H H12 0.1695 0.3517 0.5099 0.042 Uiso calc R 1 1
C C13 0.4331(3) 0.13336(12) 0.3489(4) 0.0260(7) Uani d . 1 1
C C14 0.4284(3) 0.07435(12) 0.3221(3) 0.0276(7) Uani d . 1 1
C C15 0.3382(4) 0.04070(13) 0.3515(4) 0.0326(8) Uani d . 1 1
H H15 0.2775 0.0544 0.3918 0.039 Uiso calc R 1 1
C C16 0.3381(4) -0.01338(13) 0.3210(4) 0.0389(9) Uani d . 1 1
H H16 0.2770 -0.0375 0.3394 0.047 Uiso calc R 1 1
C C17 0.4277(4) -0.03147(14) 0.2638(4) 0.0385(9) Uani d . 1 1
H H17 0.4304 -0.0684 0.2426 0.046 Uiso calc R 1 1
C C18 0.5144(4) 0.00486(13) 0.2373(4) 0.0353(8) Uani d . 1 1
H H18 0.5756 -0.0082 0.1967 0.042 Uiso calc R 1 1
C C19 0.8296(4) 0.07960(14) 0.1086(4) 0.0331(8) Uani d . 1 1
C C20 0.9353(4) 0.05507(15) 0.0623(5) 0.0493(10) Uani d . 1 1
H H20A 1.0283 0.0478 0.1546 0.074 Uiso calc R 1 1
H H20B 0.9522 0.0799 -0.0050 0.074 Uiso calc R 1 1
H H20C 0.8945 0.0215 0.0070 0.074 Uiso calc R 1 1
C C21 0.9334(4) 0.09139(13) 0.5510(4) 0.0360(9) Uani d . 1 1
C C22 1.0344(5) 0.06987(19) 0.4916(5) 0.0757(14) Uani d . 1 1
H H22A 1.1331 0.0653 0.5780 0.114 Uiso calc R 1 1
H H22B 1.0378 0.0951 0.4171 0.114 Uiso calc R 1 1
H H22C 0.9976 0.0352 0.4413 0.114 Uiso calc R 1 1
O O6 0.7515(3) -0.06096(9) 0.0946(3) 0.0496(7) Uani d . 1 1
H H6A 0.7506 -0.0275 0.1014 0.074 Uiso d R 1 1
H H6B 0.8347 -0.0702 0.1638 0.074 Uiso d R 1 1
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'
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
_geom_angle_publ_flag
O3 Mn1 O5 169.93(10) y
O3 Mn1 O1 96.91(11) ?
O5 Mn1 O1 93.07(9) ?
O3 Mn1 O2 97.49(9) ?
O5 Mn1 O2 89.08(8) ?
O1 Mn1 O2 57.06(8) y
O3 Mn1 N1 84.55(9) ?
O5 Mn1 N1 86.20(8) ?
O1 Mn1 N1 148.84(9) ?
O2 Mn1 N1 153.86(9) ?
O3 Mn1 N4 91.75(9) ?
O5 Mn1 N4 88.54(8) ?
O1 Mn1 N4 80.48(9) ?
O2 Mn1 N4 137.27(9) ?
N1 Mn1 N4 68.35(9) y
O3 Mn1 N6 86.51(10) ?
O5 Mn1 N6 86.38(9) ?
O1 Mn1 N6 142.68(9) ?
O2 Mn1 N6 85.63(9) ?
N1 Mn1 N6 68.43(9) y
N4 Mn1 N6 136.71(9) ?
O3 Mn1 C19 96.82(10) ?
O5 Mn1 C19 92.61(9) ?
O1 Mn1 C19 28.32(9) ?
O2 Mn1 C19 28.80(9) ?
N1 Mn1 C19 176.91(10) ?
N4 Mn1 C19 108.78(10) ?
N6 Mn1 C19 114.37(10) ?
C19 O1 Mn1 91.6(2) ?
C19 O2 Mn1 90.6(2) ?
C21 O3 Mn1 146.0(2) ?
Mn1 O5 H5A 115.1 ?
Mn1 O5 H5B 117.1 ?
H5A O5 H5B 107.7 ?
C13 N1 C1 116.3(3) ?
C13 N1 Mn1 122.0(2) ?
C1 N1 Mn1 121.7(2) ?
C7 N2 C1 114.7(3) ?
C13 N3 C7 114.7(3) ?
C6 N4 C2 117.3(3) ?
C6 N4 Mn1 123.9(2) ?
C2 N4 Mn1 118.8(2) ?
C12 N5 C8 117.4(3) ?
C18 N6 C14 116.9(3) ?
C18 N6 Mn1 124.3(2) ?
C14 N6 Mn1 118.8(2) ?
N1 C1 N2 124.5(3) ?
N1 C1 C2 116.6(3) ?
N2 C1 C2 118.9(3) ?
N4 C2 C3 123.2(3) ?
N4 C2 C1 114.5(3) ?
C3 C2 C1 122.3(3) ?
C4 C3 C2 118.4(3) ?
C4 C3 H3 120.8 ?
C2 C3 H3 120.8 ?
C3 C4 C5 119.4(3) ?
C3 C4 H4 120.3 ?
C5 C4 H4 120.3 ?
C4 C5 C6 118.7(3) ?
C4 C5 H5 120.7 ?
C6 C5 H5 120.7 ?
N4 C6 C5 123.1(3) ?
N4 C6 H6 118.5 ?
C5 C6 H6 118.5 ?
N2 C7 N3 125.2(3) ?
N2 C7 C8 117.0(3) ?
N3 C7 C8 117.7(3) ?
N5 C8 C9 122.7(3) ?
N5 C8 C7 116.2(3) ?
C9 C8 C7 121.2(3) ?
C8 C9 C10 118.5(3) ?
C8 C9 H9 120.7 ?
C10 C9 H9 120.7 ?
C11 C10 C9 119.8(4) ?
C11 C10 H10 120.1 ?
C9 C10 H10 120.1 ?
C10 C11 C12 117.7(3) ?
C10 C11 H11 121.1 ?
C12 C11 H11 121.1 ?
N5 C12 C11 123.9(3) ?
N5 C12 H12 118.1 ?
C11 C12 H12 118.1 ?
N1 C13 N3 124.5(3) ?
N1 C13 C14 116.0(3) ?
N3 C13 C14 119.4(3) ?
N6 C14 C15 123.2(3) ?
N6 C14 C13 114.7(3) ?
C15 C14 C13 122.2(3) ?
C14 C15 C16 118.7(3) ?
C14 C15 H15 120.7 ?
C16 C15 H15 120.7 ?
C17 C16 C15 118.7(3) ?
C17 C16 H16 120.6 ?
C15 C16 H16 120.6 ?
C16 C17 C18 119.1(3) ?
C16 C17 H17 120.5 ?
C18 C17 H17 120.5 ?
N6 C18 C17 123.5(3) ?
N6 C18 H18 118.3 ?
C17 C18 H18 118.3 ?
O1 C19 O2 120.4(3) ?
O1 C19 C20 120.2(3) ?
O2 C19 C20 119.3(3) ?
O1 C19 Mn1 60.06(17) ?
O2 C19 Mn1 60.56(17) ?
C20 C19 Mn1 174.2(3) ?
C19 C20 H20A 109.5 ?
C19 C20 H20B 109.5 ?
H20A C20 H20B 109.5 ?
C19 C20 H20C 109.5 ?
H20A C20 H20C 109.5 ?
H20B C20 H20C 109.5 ?
O4 C21 O3 124.0(3) ?
O4 C21 C22 118.6(3) ?
O3 C21 C22 117.2(3) ?
C21 C22 H22A 109.5 ?
C21 C22 H22B 109.5 ?
H22A C22 H22B 109.5 ?
C21 C22 H22C 109.5 ?
H22A C22 H22C 109.5 ?
H22B C22 H22C 109.5 ?
H6A O6 H6B 104.7 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Mn1 O3 2.113(2) y
Mn1 O5 2.245(2) y
Mn1 O1 2.284(2) y
Mn1 O2 2.295(2) y
Mn1 N1 2.298(3) y
Mn1 N4 2.387(3) y
Mn1 N6 2.393(3) y
Mn1 C19 2.635(4) ?
O1 C19 1.250(4) ?
O2 C19 1.269(4) ?
O3 C21 1.246(4) ?
O4 C21 1.235(4) ?
O5 H5A 0.8400 ?
O5 H5B 0.8400 ?
N1 C13 1.328(4) ?
N1 C1 1.329(4) ?
N2 C7 1.334(4) ?
N2 C1 1.337(4) ?
N3 C13 1.332(4) ?
N3 C7 1.349(4) ?
N4 C6 1.335(4) ?
N4 C2 1.349(4) ?
N5 C12 1.330(4) ?
N5 C8 1.343(4) ?
N6 C18 1.331(4) ?
N6 C14 1.344(4) ?
C1 C2 1.478(4) ?
C2 C3 1.381(4) ?
C3 C4 1.375(4) ?
C3 H3 0.9500 ?
C4 C5 1.377(4) ?
C4 H4 0.9500 ?
C5 C6 1.385(4) ?
C5 H5 0.9500 ?
C6 H6 0.9500 ?
C7 C8 1.487(4) ?
C8 C9 1.375(5) ?
C9 C10 1.380(5) ?
C9 H9 0.9500 ?
C10 C11 1.370(5) ?
C10 H10 0.9500 ?
C11 C12 1.380(5) ?
C11 H11 0.9500 ?
C12 H12 0.9500 ?
C13 C14 1.494(4) ?
C14 C15 1.383(4) ?
C15 C16 1.384(4) ?
C15 H15 0.9500 ?
C16 C17 1.366(5) ?
C16 H16 0.9500 ?
C17 C18 1.384(5) ?
C17 H17 0.9500 ?
C18 H18 0.9500 ?
C19 C20 1.498(5) ?
C20 H20A 0.9800 ?
C20 H20B 0.9800 ?
C20 H20C 0.9800 ?
C21 C22 1.514(5) ?
C22 H22A 0.9800 ?
C22 H22B 0.9800 ?
C22 H22C 0.9800 ?
O6 H6A 0.8400 ?
O6 H6B 0.8400 ?
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
O5 H5A N5 4_565 0.84 2.16 2.924(3) 151.0
O5 H5B O6 3_655 0.84 1.88 2.704(3) 168.1
O6 H6A O2 . 0.84 1.95 2.791(3) 175.1
O6 H6B O4 3_756 0.84 1.87 2.711(4) 176.3
C3 H3 O5 4_566 0.95 2.46 3.399(4) 170.4
C5 H5 O3 4_565 0.95 2.59 3.338(4) 136.3
C6 H6 O1 . 0.95 2.33 2.983(4) 125.1
C18 H18 O2 . 0.95 2.55 3.198(4) 125.2
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
O3 Mn1 O1 C19 91.6(2)
O5 Mn1 O1 C19 -89.8(2)
O2 Mn1 O1 C19 -2.90(19)
N1 Mn1 O1 C19 -177.55(19)
N4 Mn1 O1 C19 -177.8(2)
N6 Mn1 O1 C19 -1.7(3)
O3 Mn1 O2 C19 -90.5(2)
O5 Mn1 O2 C19 97.1(2)
O1 Mn1 O2 C19 2.86(18)
N1 Mn1 O2 C19 176.6(2)
N4 Mn1 O2 C19 10.3(2)
N6 Mn1 O2 C19 -176.4(2)
O5 Mn1 O3 C21 145.7(5)
O1 Mn1 O3 C21 -42.1(5)
O2 Mn1 O3 C21 15.4(5)
N1 Mn1 O3 C21 169.2(5)
N4 Mn1 O3 C21 -122.8(5)
N6 Mn1 O3 C21 100.5(5)
C19 Mn1 O3 C21 -13.6(5)
O3 Mn1 N1 C13 -85.8(2)
O5 Mn1 N1 C13 90.2(2)
O1 Mn1 N1 C13 179.9(2)
O2 Mn1 N1 C13 10.1(4)
N4 Mn1 N1 C13 -179.9(3)
N6 Mn1 N1 C13 2.6(2)
O3 Mn1 N1 C1 91.8(2)
O5 Mn1 N1 C1 -92.2(2)
O1 Mn1 N1 C1 -2.5(3)
O2 Mn1 N1 C1 -172.3(2)
N4 Mn1 N1 C1 -2.2(2)
N6 Mn1 N1 C1 -179.8(2)
O3 Mn1 N4 C6 98.8(3)
O5 Mn1 N4 C6 -91.3(3)
O1 Mn1 N4 C6 2.1(2)
O2 Mn1 N4 C6 -4.3(3)
N1 Mn1 N4 C6 -177.8(3)
N6 Mn1 N4 C6 -174.5(2)
C19 Mn1 N4 C6 1.0(3)
O3 Mn1 N4 C2 -82.1(2)
O5 Mn1 N4 C2 87.9(2)
O1 Mn1 N4 C2 -178.8(2)
O2 Mn1 N4 C2 174.93(19)
N1 Mn1 N4 C2 1.4(2)
N6 Mn1 N4 C2 4.7(3)
C19 Mn1 N4 C2 -179.9(2)
O3 Mn1 N6 C18 -96.7(3)
O5 Mn1 N6 C18 90.5(3)
O1 Mn1 N6 C18 0.1(3)
O2 Mn1 N6 C18 1.1(3)
N1 Mn1 N6 C18 177.8(3)
N4 Mn1 N6 C18 174.5(2)
C19 Mn1 N6 C18 -0.8(3)
O3 Mn1 N6 C14 84.0(2)
O5 Mn1 N6 C14 -88.8(2)
O1 Mn1 N6 C14 -179.1(2)
O2 Mn1 N6 C14 -178.2(2)
N1 Mn1 N6 C14 -1.5(2)
N4 Mn1 N6 C14 -4.8(3)
C19 Mn1 N6 C14 179.9(2)
C13 N1 C1 N2 -1.2(4)
Mn1 N1 C1 N2 -178.9(2)
C13 N1 C1 C2 -179.4(3)
Mn1 N1 C1 C2 2.8(4)
C7 N2 C1 N1 0.6(4)
C7 N2 C1 C2 178.9(3)
C6 N4 C2 C3 -0.9(5)
Mn1 N4 C2 C3 179.9(2)
C6 N4 C2 C1 178.7(3)
Mn1 N4 C2 C1 -0.6(3)
N1 C1 C2 N4 -1.4(4)
N2 C1 C2 N4 -179.7(3)
N1 C1 C2 C3 178.2(3)
N2 C1 C2 C3 -0.2(5)
N4 C2 C3 C4 0.8(5)
C1 C2 C3 C4 -178.7(3)
C2 C3 C4 C5 0.4(5)
C3 C4 C5 C6 -1.6(5)
C2 N4 C6 C5 -0.4(5)
Mn1 N4 C6 C5 178.8(2)
C4 C5 C6 N4 1.6(5)
C1 N2 C7 N3 1.2(4)
C1 N2 C7 C8 -177.5(3)
C13 N3 C7 N2 -2.3(4)
C13 N3 C7 C8 176.4(3)
C12 N5 C8 C9 -2.0(5)
C12 N5 C8 C7 176.9(3)
N2 C7 C8 N5 5.5(4)
N3 C7 C8 N5 -173.4(3)
N2 C7 C8 C9 -175.6(3)
N3 C7 C8 C9 5.6(5)
N5 C8 C9 C10 1.7(6)
C7 C8 C9 C10 -177.2(3)
C8 C9 C10 C11 -0.3(6)
C9 C10 C11 C12 -0.7(6)
C8 N5 C12 C11 1.0(5)
C10 C11 C12 N5 0.3(5)
C1 N1 C13 N3 -0.1(5)
Mn1 N1 C13 N3 177.7(2)
C1 N1 C13 C14 178.9(3)
Mn1 N1 C13 C14 -3.3(4)
C7 N3 C13 N1 1.7(4)
C7 N3 C13 C14 -177.3(3)
C18 N6 C14 C15 0.1(4)
Mn1 N6 C14 C15 179.4(2)
C18 N6 C14 C13 -178.9(3)
Mn1 N6 C14 C13 0.4(3)
N1 C13 C14 N6 1.8(4)
N3 C13 C14 N6 -179.2(3)
N1 C13 C14 C15 -177.2(3)
N3 C13 C14 C15 1.8(4)
N6 C14 C15 C16 -0.1(5)
C13 C14 C15 C16 178.8(3)
C14 C15 C16 C17 0.3(5)
C15 C16 C17 C18 -0.5(5)
C14 N6 C18 C17 -0.3(5)
Mn1 N6 C18 C17 -179.6(3)
C16 C17 C18 N6 0.5(5)
Mn1 O1 C19 O2 5.1(3)
Mn1 O1 C19 C20 -173.3(3)
Mn1 O2 C19 O1 -5.1(3)
Mn1 O2 C19 C20 173.3(3)
O3 Mn1 C19 O1 -91.9(2)
O5 Mn1 C19 O1 91.6(2)
O2 Mn1 C19 O1 174.9(3)
N4 Mn1 C19 O1 2.3(2)
N6 Mn1 C19 O1 178.84(19)
O3 Mn1 C19 O2 93.1(2)
O5 Mn1 C19 O2 -83.31(19)
O1 Mn1 C19 O2 -174.9(3)
N4 Mn1 C19 O2 -172.65(18)
N6 Mn1 C19 O2 3.9(2)
Mn1 O3 C21 O4 -167.0(3)
Mn1 O3 C21 C22 18.2(7)
