#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/57/2205763.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_2205763
loop_
_publ_author_name
'Gao, Shan'
'Huo, Li-Hua'
'Liu, Ji-Wei'
'Zhao, Hui'
_publ_section_title
catena-Poly[[aqua(2,2'-bipyridine-κ²N,N')manganese(II)]-μ-4-carboxylatophenoxyacetato-κ³O,O':O'']
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m989
_journal_page_last               m991
_journal_paper_doi               10.1107/S1600536805012584
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Mn (C9 H6 O5) (C10 H8 N2) (H2 O)]'
_chemical_formula_moiety         'C19 H16 Mn N2 O6'
_chemical_formula_sum            'C19 H16 Mn N2 O6'
_chemical_formula_weight         423.28
_chemical_name_systematic
;
catena-Poly[[aqua(2,2'-bipyridine-κ²N,N')manganese(II)]-μ-
4-carboxylatophenoxyacetato-κ³O,O':O'']
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.00(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.379(2)
_cell_length_b                   13.234(2)
_cell_length_c                   19.705(3)
_cell_measurement_reflns_used    6068
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      3.03
_cell_volume                     3638.3(10)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       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  0.0574
_diffrn_reflns_av_sigmaI/netI    0.0921
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            6190
_diffrn_reflns_theta_full        27.41
_diffrn_reflns_theta_max         27.41
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.328
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4139
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.1334
_refine_ls_R_factor_gt           0.0659
_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)+(0.055P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                2578
_reflns_number_total             4139
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6411.cif
_cod_data_source_block           I
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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 

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.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2205763
_cod_database_fobs_code          2205763
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_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_type_symbol
Mn1 0.75561(5) 0.79563(5) 0.62120(3) 0.0465(2) Uani d . 1 Mn
N1 0.8419(2) 0.8701(3) 0.71681(18) 0.0471(9) Uani d . 1 N
N2 0.8265(3) 0.6716(3) 0.69679(19) 0.0493(9) Uani d . 1 N
O1 0.6192(2) 0.7915(2) 0.66021(16) 0.0588(8) Uani d . 1 O
O2 0.6315(2) 0.6948(2) 0.57219(15) 0.0543(8) Uani d . 1 O
O3 0.1895(2) 0.6410(2) 0.57211(17) 0.0603(9) Uani d . 1 O
O4 0.1079(3) 0.4223(3) 0.46691(18) 0.0758(11) Uani d . 1 O
O5 0.2164(2) 0.4350(2) 0.56862(16) 0.0607(9) Uani d . 1 O
O1W 0.8585(3) 0.7647(3) 0.56178(16) 0.0578(9) Uani d D 1 O
C1 0.5818(3) 0.7334(3) 0.6107(2) 0.0485(11) Uani d . 1 C
C2 0.4786(3) 0.7077(3) 0.5983(2) 0.0444(10) Uani d . 1 C
C3 0.4256(3) 0.7396(3) 0.6450(2) 0.0518(12) Uani d . 1 C
C4 0.3301(3) 0.7160(3) 0.6352(2) 0.0551(12) Uani d . 1 C
C5 0.2847(3) 0.6593(3) 0.5773(2) 0.0473(11) Uani d . 1 C
C6 0.3347(3) 0.6283(4) 0.5291(2) 0.0526(12) Uani d . 1 C
C7 0.4314(3) 0.6519(3) 0.5407(2) 0.0491(11) Uani d . 1 C
C8 0.1368(3) 0.5830(4) 0.5150(3) 0.0591(13) Uani d . 1 C
C9 0.1569(3) 0.4688(4) 0.5179(2) 0.0534(12) Uani d . 1 C
C10 0.8480(3) 0.9708(4) 0.7231(2) 0.0591(13) Uani d . 1 C
C11 0.8960(4) 1.0178(4) 0.7839(3) 0.0707(15) Uani d . 1 C
C12 0.9379(4) 0.9576(5) 0.8394(3) 0.0840(18) Uani d . 1 C
C13 0.9337(4) 0.8555(4) 0.8336(3) 0.0762(17) Uani d . 1 C
C14 0.8846(3) 0.8119(4) 0.7713(2) 0.0504(12) Uani d . 1 C
C15 0.8776(3) 0.7006(4) 0.7601(2) 0.0468(10) Uani d . 1 C
C16 0.9221(3) 0.6323(4) 0.8107(3) 0.0626(13) Uani d . 1 C
C17 0.9124(4) 0.5317(5) 0.7971(3) 0.0744(17) Uani d . 1 C
C18 0.8599(4) 0.4996(4) 0.7325(3) 0.0741(16) Uani d . 1 C
C19 0.8193(3) 0.5724(4) 0.6841(3) 0.0607(13) Uani d . 1 C
H1W1 0.853(4) 0.793(4) 0.5225(14) 0.087 Uiso d D 1 H
H1W2 0.859(4) 0.7007(10) 0.556(3) 0.087 Uiso d D 1 H
H3 0.4556 0.7778 0.6837 0.062 Uiso calc R 1 H
H4 0.2962 0.7379 0.6671 0.066 Uiso calc R 1 H
H6 0.3040 0.5921 0.4896 0.063 Uiso calc R 1 H
H7 0.4654 0.6296 0.5090 0.059 Uiso calc R 1 H
H8A 0.1499 0.6095 0.4724 0.071 Uiso calc R 1 H
H8B 0.0690 0.5929 0.5119 0.071 Uiso calc R 1 H
H10 0.8187 1.0105 0.6850 0.071 Uiso calc R 1 H
H11 0.8997 1.0878 0.7871 0.085 Uiso calc R 1 H
H12 0.9696 0.9871 0.8815 0.101 Uiso calc R 1 H
H13 0.9635 0.8150 0.8711 0.091 Uiso calc R 1 H
H16 0.9584 0.6550 0.8536 0.075 Uiso calc R 1 H
H17 0.9410 0.4849 0.8309 0.089 Uiso calc R 1 H
H18 0.8521 0.4312 0.7219 0.089 Uiso calc R 1 H
H19 0.7849 0.5511 0.6402 0.073 Uiso calc R 1 H
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Mn1 N2 . . 72.33(14) yes
N1 Mn1 O1 . . 94.28(12) yes
N1 Mn1 O2 . . 148.19(12) yes
O1 Mn1 N2 . . 92.72(12) yes
O5 Mn1 N1 3 . 93.22(13) yes
O5 Mn1 N2 3 . 165.06(13) yes
O5 Mn1 O1 3 . 92.11(13) yes
O2 Mn1 N2 . . 92.06(13) yes
O2 Mn1 O1 . . 58.08(11) yes
O5 Mn1 O2 3 . 102.48(12) yes
O5 Mn1 O1W 3 . 92.08(13) yes
O1W Mn1 N1 . . 103.37(13) yes
O1W Mn1 N2 . . 87.76(13) yes
O1W Mn1 O1 . . 161.60(12) yes
O1W Mn1 O2 . . 103.51(12) yes
Mn1 O1W H1W1 . . 120(4) no
Mn1 O1W H1W2 . . 107(4) no
N1 Mn1 C1 . . 122.63(15) no
N1 C10 C11 . . 122.6(5) no
N1 C10 H10 . . 118.7 no
N1 C14 C13 . . 120.4(5) no
N1 C14 C15 . . 116.5(4) no
N2 Mn1 C1 . . 95.33(13) no
N2 C15 C14 . . 115.1(4) no
N2 C15 C16 . . 122.4(5) no
N2 C19 C18 . . 123.8(5) no
N2 C19 H19 . . 118.1 no
O1 Mn1 C1 . . 29.01(12) no
O1 C1 Mn1 . . 61.3(2) no
O1 C1 O2 . . 121.0(4) no
O1 C1 C2 . . 119.4(4) no
O2 Mn1 C1 . . 29.28(12) no
O2 C1 Mn1 . . 60.3(2) no
O2 C1 C2 . . 119.7(4) no
O3 C5 C4 . . 114.8(4) no
O3 C5 C6 . . 124.8(4) no
O3 C8 C9 . . 116.3(4) no
O3 C8 H8A . . 108.2 no
O3 C8 H8B . . 108.2 no
O4 C9 C8 . . 113.2(4) no
O5 Mn1 C1 3 . 95.74(13) no
O5 C9 O4 . . 128.5(5) no
O5 C9 C8 . . 118.4(4) no
O1W Mn1 C1 . . 132.63(14) no
C1 O1 Mn1 . . 89.6(3) no
C1 O2 Mn1 . . 90.4(3) no
C2 C1 Mn1 . . 173.0(3) no
C2 C3 H3 . . 119.1 no
C2 C7 C6 . . 121.8(4) no
C2 C7 H7 . . 119.1 no
C3 C2 C1 . . 120.5(4) no
C3 C4 C5 . . 119.4(4) no
C3 C4 H4 . . 120.3 no
C4 C3 C2 . . 121.7(4) no
C4 C3 H3 . . 119.1 no
C5 O3 C8 . . 119.2(4) no
C5 C4 H4 . . 120.3 no
C5 C6 C7 . . 119.0(4) no
C5 C6 H6 . . 120.5 no
C6 C5 C4 . . 120.4(4) no
C6 C7 H7 . . 119.1 no
C7 C2 C1 . . 121.9(4) no
C7 C2 C3 . . 117.6(4) no
C7 C6 H6 . . 120.5 no
C9 O5 Mn1 . 3_445 139.6(3) no
C9 C8 H8A . . 108.2 no
C9 C8 H8B . . 108.2 no
C10 N1 Mn1 . . 122.1(3) no
C10 N1 C14 . . 119.3(4) no
C10 C11 H11 . . 121.2 no
C11 C10 H10 . . 118.7 no
C11 C12 H12 . . 119.7 no
C12 C11 C10 . . 117.6(5) no
C12 C11 H11 . . 121.2 no
C12 C13 C14 . . 119.5(5) no
C12 C13 H13 . . 120.3 no
C13 C12 C11 . . 120.7(5) no
C13 C12 H12 . . 119.7 no
C13 C14 C15 . . 123.0(4) no
C14 N1 Mn1 . . 118.5(3) no
C14 C13 H13 . . 120.3 no
C15 N2 Mn1 . . 117.2(3) no
C15 C16 H16 . . 120.3 no
C16 C15 C14 . . 122.5(4) no
C16 C17 C18 . . 119.4(5) no
C16 C17 H17 . . 120.3 no
C17 C16 C15 . . 119.4(5) no
C17 C16 H16 . . 120.3 no
C17 C18 C19 . . 117.8(5) no
C17 C18 H18 . . 121.1 no
C18 C17 H17 . . 120.3 no
C18 C19 H19 . . 118.1 no
C19 N2 Mn1 . . 125.6(3) no
C19 N2 C15 . . 117.1(4) no
C19 C18 H18 . . 121.1 no
H1W1 O1W H1W2 . . 108(5) no
H8A C8 H8B . . 107.4 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mn1 N1 . 2.220(4) yes
Mn1 N2 . 2.284(4) yes
Mn1 O1 . 2.274(3) yes
Mn1 O2 . 2.251(3) yes
Mn1 O5 3 2.124(3) yes
Mn1 O1W . 2.136(4) yes
O1 C1 . 1.257(5) yes
O2 C1 . 1.268(5) yes
O4 C9 . 1.242(5) yes
O5 C9 . 1.232(5) yes
Mn1 C1 . 2.591(5) no
N1 C10 . 1.338(5) no
N1 C14 . 1.343(5) no
N2 C15 . 1.342(5) no
N2 C19 . 1.335(5) no
O3 C5 . 1.370(5) no
O3 C8 . 1.419(5) no
O5 Mn1 3_445 2.124(3) no
O1W H1W1 . 0.85(3) no
O1W H1W2 . 0.85(3) no
C1 C2 . 1.484(6) no
C2 C7 . 1.386(6) no
C2 C3 . 1.395(6) no
C3 C4 . 1.375(6) no
C3 H3 . 0.9300 no
C4 C5 . 1.389(6) no
C4 H4 . 0.9300 no
C5 C6 . 1.385(6) no
C6 C7 . 1.389(6) no
C6 H6 . 0.9300 no
C7 H7 . 0.9300 no
C8 C9 . 1.537(6) no
C8 H8A . 0.9700 no
C8 H8B . 0.9700 no
C10 C11 . 1.377(6) no
C10 H10 . 0.9300 no
C11 C12 . 1.369(7) no
C11 H11 . 0.9300 no
C12 C13 . 1.357(7) no
C12 H12 . 0.9300 no
C13 C14 . 1.384(6) no
C13 H13 . 0.9300 no
C14 C15 . 1.489(6) no
C15 C16 . 1.383(6) no
C16 C17 . 1.358(7) no
C16 H16 . 0.9300 no
C17 C18 . 1.380(7) no
C17 H17 . 0.9300 no
C18 C19 . 1.381(7) no
C18 H18 . 0.9300 no
C19 H19 . 0.9300 no
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
_geom_hbond_publ_flag
O1W H1W1 O2 7_666 0.85(3) 1.94(2) 2.732(4) 155(5) yes
O1W H1W2 O4 5_666 0.85(3) 1.78(2) 2.609(5) 162(6) yes
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
_geom_torsion_publ_flag
O5 Mn1 O1 C1 3 98.0(3) no
O1W Mn1 O1 C1 . -5.0(5) no
N1 Mn1 O1 C1 . -168.6(3) no
O2 Mn1 O1 C1 . -5.4(2) no
N2 Mn1 O1 C1 . -96.1(3) no
O5 Mn1 O2 C1 3 -79.3(3) no
O1W Mn1 O2 C1 . -174.6(2) no
N1 Mn1 O2 C1 . 38.5(4) no
O1 Mn1 O2 C1 . 5.3(2) no
N2 Mn1 O2 C1 . 97.2(3) no
O5 Mn1 N1 C10 3 2.7(4) no
O1W Mn1 N1 C10 . 95.6(4) no
O2 Mn1 N1 C10 . -117.4(4) no
O1 Mn1 N1 C10 . -89.7(4) no
N2 Mn1 N1 C10 . 178.8(4) no
C1 Mn1 N1 C10 . -96.2(4) no
O5 Mn1 N1 C14 3 178.8(3) no
O1W Mn1 N1 C14 . -88.3(3) no
O2 Mn1 N1 C14 . 58.7(4) no
O1 Mn1 N1 C14 . 86.4(3) no
N2 Mn1 N1 C14 . -5.1(3) no
C1 Mn1 N1 C14 . 79.9(3) no
O5 Mn1 N2 C19 3 -162.8(5) no
O1W Mn1 N2 C19 . -73.1(4) no
N1 Mn1 N2 C19 . -177.9(4) no
O2 Mn1 N2 C19 . 30.3(4) no
O1 Mn1 N2 C19 . 88.4(4) no
C1 Mn1 N2 C19 . 59.5(4) no
O5 Mn1 N2 C15 3 19.1(7) no
O1W Mn1 N2 C15 . 108.8(3) no
N1 Mn1 N2 C15 . 4.0(3) no
O2 Mn1 N2 C15 . -147.8(3) no
O1 Mn1 N2 C15 . -89.6(3) no
C1 Mn1 N2 C15 . -118.6(3) no
Mn1 O1 C1 O2 . 9.5(4) no
Mn1 O1 C1 C2 . -172.1(3) no
Mn1 O2 C1 O1 . -9.6(4) no
Mn1 O2 C1 C2 . 172.0(3) no
O5 Mn1 C1 O1 3 -84.0(3) no
O1W Mn1 C1 O1 . 177.8(2) no
N1 Mn1 C1 O1 . 13.6(3) no
O2 Mn1 C1 O1 . 170.7(4) no
N2 Mn1 C1 O1 . 86.0(3) no
O5 Mn1 C1 O2 3 105.4(2) no
O1W Mn1 C1 O2 . 7.2(3) no
N1 Mn1 C1 O2 . -157.1(2) no
O1 Mn1 C1 O2 . -170.7(4) no
N2 Mn1 C1 O2 . -84.7(2) no
O1 C1 C2 C7 . 173.8(4) no
O2 C1 C2 C7 . -7.7(6) no
O1 C1 C2 C3 . -6.2(6) no
O2 C1 C2 C3 . 172.3(4) no
C7 C2 C3 C4 . 0.7(6) no
C1 C2 C3 C4 . -179.3(4) no
C2 C3 C4 C5 . -0.2(7) no
C8 O3 C5 C6 . 2.4(6) no
C8 O3 C5 C4 . -179.5(4) no
C3 C4 C5 O3 . -179.3(4) no
C3 C4 C5 C6 . -1.2(7) no
O3 C5 C6 C7 . -180.0(4) no
C4 C5 C6 C7 . 2.0(7) no
C3 C2 C7 C6 . 0.3(6) no
C1 C2 C7 C6 . -179.8(4) no
C5 C6 C7 C2 . -1.6(7) no
C5 O3 C8 C9 . 73.6(5) no
Mn1 O5 C9 O4 3_445 -19.2(9) no
Mn1 O5 C9 C8 3_445 159.9(3) no
O3 C8 C9 O5 . 0.1(6) no
O3 C8 C9 O4 . 179.3(4) no
C14 N1 C10 C11 . -0.6(7) no
Mn1 N1 C10 C11 . 175.5(4) no
N1 C10 C11 C12 . -0.4(8) no
C10 C11 C12 C13 . 1.4(9) no
C11 C12 C13 C14 . -1.4(9) no
C10 N1 C14 C13 . 0.6(7) no
Mn1 N1 C14 C13 . -175.6(4) no
C10 N1 C14 C15 . -178.2(4) no
Mn1 N1 C14 C15 . 5.6(5) no
C12 C13 C14 N1 . 0.4(8) no
C12 C13 C14 C15 . 179.1(5) no
C19 N2 C15 C16 . 0.5(6) no
Mn1 N2 C15 C16 . 178.7(3) no
C19 N2 C15 C14 . 179.2(4) no
Mn1 N2 C15 C14 . -2.6(5) no
N1 C14 C15 N2 . -1.9(6) no
C13 C14 C15 N2 . 179.4(4) no
N1 C14 C15 C16 . 176.9(4) no
C13 C14 C15 C16 . -1.9(7) no
N2 C15 C16 C17 . -1.6(7) no
C14 C15 C16 C17 . 179.8(4) no
C15 C16 C17 C18 . 1.3(8) no
C16 C17 C18 C19 . 0.1(8) no
C15 N2 C19 C18 . 1.0(7) no
Mn1 N2 C19 C18 . -177.1(4) no
C17 C18 C19 N2 . -1.3(8) no
