#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:05:48 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180411 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/80/7208064.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_7208064
loop_
_publ_author_name
'Cao, Xinjiang'
'Zhang, Jun'
'Wang, Chengjie'
'Zhu, Yanyan'
'Li, Gang'
_publ_section_title
;
 Design and construction of six metal--organic frameworks with
 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              4357
_journal_paper_doi               10.1039/c2ce25081k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C22 H16 Co N4 O5'
_chemical_formula_weight         475.32
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4706(18)
_cell_length_b                   12.8946(13)
_cell_length_c                   18.194(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4098.7(7)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_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  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19534
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.8719
_exptl_absorpt_correction_T_min  0.8366
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.508
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3518
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0492
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0660P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0968
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                2795
_reflns_number_total             3518
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25081k.txt
_cod_data_source_block           p1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7208064
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Co1 Co 0.243108(17) 0.79652(2) 1.004148(14) 0.02966(14) Uani 1 1 d .
N2 N 0.25349(9) 0.96035(14) 1.01085(9) 0.0293(5) Uani 1 1 d .
N1 N 0.26944(11) 1.13298(13) 1.02147(10) 0.0304(4) Uani 1 1 d .
N3 N 0.33176(11) 0.75598(14) 0.92962(9) 0.0345(4) Uani 1 1 d .
N4 N 0.18653(12) 0.79505(14) 0.90106(10) 0.0360(5) Uani 1 1 d .
O1 O 0.14902(9) 0.83276(12) 1.07564(8) 0.0418(4) Uani 1 1 d .
O2 O 0.10104(11) 0.95938(13) 1.14329(9) 0.0519(5) Uani 1 1 d .
H2A H 0.1083 1.0215 1.1500 0.078 Uiso 1 1 calc R
O3 O 0.11900(11) 1.14984(12) 1.15570(8) 0.0508(5) Uani 1 1 d .
O4 O 0.18586(10) 1.27461(12) 1.09965(8) 0.0413(4) Uani 1 1 d .
O5 O 0.54471(10) 0.98773(14) 0.80099(8) 0.0518(5) Uani 1 1 d .
C1 C 0.14831(13) 0.92556(18) 1.09497(11) 0.0350(5) Uani 1 1 d .
C2 C 0.20229(12) 0.99754(15) 1.06110(10) 0.0310(5) Uani 1 1 d .
C3 C 0.21222(13) 1.10221(15) 1.06801(10) 0.0301(5) Uani 1 1 d .
C4 C 0.16987(15) 1.18057(17) 1.11064(11) 0.0360(6) Uani 1 1 d .
C5 C 0.29278(14) 1.04544(15) 0.98846(10) 0.0292(5) Uani 1 1 d .
C6 C 0.35773(13) 1.03941(15) 0.93717(11) 0.0310(5) Uani 1 1 d .
C11 C 0.42764(13) 1.08228(18) 0.95472(12) 0.0405(6) Uani 1 1 d .
H11 H 0.4321 1.1222 0.9971 0.049 Uiso 1 1 calc R
C10 C 0.49154(15) 1.0673(2) 0.91066(12) 0.0455(6) Uani 1 1 d .
H10 H 0.5384 1.0960 0.9238 0.055 Uiso 1 1 calc R
C9 C 0.48476(14) 1.00917(17) 0.84689(11) 0.0372(6) Uani 1 1 d .
C8 C 0.41408(14) 0.97030(18) 0.82703(12) 0.0406(6) Uani 1 1 d .
H8 H 0.4089 0.9337 0.7833 0.049 Uiso 1 1 calc R
C7 C 0.35181(14) 0.98503(18) 0.87101(11) 0.0381(6) Uani 1 1 d .
H7 H 0.3046 0.9584 0.8567 0.046 Uiso 1 1 calc R
C12 C 0.61983(15) 0.9966(2) 0.82953(15) 0.0570(7) Uani 1 1 d .
H12A H 0.6562 0.9799 0.7918 0.086 Uiso 1 1 calc R
H12B H 0.6259 0.9496 0.8700 0.086 Uiso 1 1 calc R
H12C H 0.6283 1.0664 0.8461 0.086 Uiso 1 1 calc R
C13 C 0.40506(14) 0.7412(2) 0.94689(13) 0.0471(6) Uani 1 1 d .
H13 H 0.4214 0.7589 0.9939 0.056 Uiso 1 1 calc R
C14 C 0.45770(17) 0.7009(2) 0.89853(16) 0.0640(8) Uani 1 1 d .
H14 H 0.5084 0.6910 0.9125 0.077 Uiso 1 1 calc R
C15 C 0.43333(18) 0.6756(3) 0.82918(17) 0.0709(9) Uani 1 1 d .
H15 H 0.4674 0.6473 0.7954 0.085 Uiso 1 1 calc R
C16 C 0.35897(17) 0.6922(2) 0.80999(14) 0.0564(8) Uani 1 1 d .
H16 H 0.3423 0.6766 0.7627 0.068 Uiso 1 1 calc R
C17 C 0.30829(15) 0.73238(17) 0.86113(11) 0.0374(6) Uani 1 1 d .
C18 C 0.22761(15) 0.75495(17) 0.84521(11) 0.0374(6) Uani 1 1 d .
C19 C 0.19493(17) 0.7393(2) 0.77681(13) 0.0544(7) Uani 1 1 d .
H19 H 0.2239 0.7119 0.7386 0.065 Uiso 1 1 calc R
C20 C 0.11929(19) 0.7644(3) 0.76577(16) 0.0673(9) Uani 1 1 d .
H20 H 0.0966 0.7538 0.7201 0.081 Uiso 1 1 calc R
C21 C 0.07788(17) 0.8050(2) 0.82246(16) 0.0648(9) Uani 1 1 d .
H21 H 0.0267 0.8226 0.8161 0.078 Uiso 1 1 calc R
C22 C 0.11341(16) 0.8195(2) 0.88954(14) 0.0513(7) Uani 1 1 d .
H22 H 0.0852 0.8474 0.9281 0.062 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
N4 Co1 N3 76.88(7) . .
N4 Co1 N2 95.71(7) . .
N3 Co1 N2 102.66(7) . .
N4 Co1 N1 94.22(7) . 8_655
N3 Co1 N1 85.78(7) . 8_655
N2 Co1 N1 168.21(7) . 8_655
N4 Co1 O1 100.42(7) . .
N3 Co1 O1 176.76(6) . .
N2 Co1 O1 79.29(6) . .
N1 Co1 O1 92.68(7) 8_655 .
N4 Co1 O4 168.85(7) . 8_655
N3 Co1 O4 93.59(7) . 8_655
N2 Co1 O4 92.00(6) . 8_655
N1 Co1 O4 79.12(6) 8_655 8_655
O1 Co1 O4 88.91(6) . 8_655
C5 N2 C2 104.38(17) . .
C5 N2 Co1 146.14(14) . .
C2 N2 Co1 109.37(13) . .
C5 N1 C3 104.77(17) . .
C5 N1 Co1 142.44(14) . 8_665
C3 N1 Co1 107.54(13) . 8_665
C13 N3 C17 118.6(2) . .
C13 N3 Co1 125.85(15) . .
C17 N3 Co1 115.11(15) . .
C22 N4 C18 118.9(2) . .
C22 N4 Co1 125.74(16) . .
C18 N4 Co1 114.98(16) . .
C1 O1 Co1 112.78(14) . .
C1 O2 H2A 109.5 . .
C4 O4 Co1 112.45(13) . 8_665
C9 O5 C12 118.00(19) . .
O1 C1 O2 121.7(2) . .
O1 C1 C2 118.99(19) . .
O2 C1 C2 119.3(2) . .
N2 C2 C3 108.97(18) . .
N2 C2 C1 118.84(18) . .
C3 C2 C1 132.17(19) . .
C2 C3 N1 108.79(17) . .
C2 C3 C4 131.5(2) . .
N1 C3 C4 119.59(18) . .
O4 C4 O3 123.8(2) . .
O4 C4 C3 117.7(2) . .
O3 C4 C3 118.5(2) . .
N1 C5 N2 113.09(18) . .
N1 C5 C6 124.24(18) . .
N2 C5 C6 122.54(18) . .
C11 C6 C7 117.81(19) . .
C11 C6 C5 121.03(18) . .
C7 C6 C5 121.1(2) . .
C6 C11 C10 121.6(2) . .
C6 C11 H11 119.2 . .
C10 C11 H11 119.2 . .
C9 C10 C11 119.3(2) . .
C9 C10 H10 120.3 . .
C11 C10 H10 120.3 . .
O5 C9 C8 116.85(19) . .
O5 C9 C10 123.7(2) . .
C8 C9 C10 119.5(2) . .
C7 C8 C9 120.6(2) . .
C7 C8 H8 119.7 . .
C9 C8 H8 119.7 . .
C8 C7 C6 121.1(2) . .
C8 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
O5 C12 H12A 109.5 . .
O5 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
O5 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N3 C13 C14 123.1(2) . .
N3 C13 H13 118.4 . .
C14 C13 H13 118.4 . .
C15 C14 C13 118.1(3) . .
C15 C14 H14 121.0 . .
C13 C14 H14 121.0 . .
C16 C15 C14 119.7(3) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C15 C16 C17 119.8(3) . .
C15 C16 H16 120.1 . .
C17 C16 H16 120.1 . .
N3 C17 C16 120.8(2) . .
N3 C17 C18 115.48(18) . .
C16 C17 C18 123.7(2) . .
N4 C18 C19 121.0(2) . .
N4 C18 C17 116.01(19) . .
C19 C18 C17 123.0(2) . .
C20 C19 C18 119.6(3) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C21 C20 C19 119.3(3) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C20 C21 C22 118.8(3) . .
C20 C21 H21 120.6 . .
C22 C21 H21 120.6 . .
N4 C22 C21 122.5(3) . .
N4 C22 H22 118.7 . .
C21 C22 H22 118.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 N4 2.1202(18) .
Co1 N3 2.1238(18) .
Co1 N2 2.1238(18) .
Co1 N1 2.1434(18) 8_655
Co1 O1 2.1476(15) .
Co1 O4 2.1538(15) 8_655
N2 C5 1.357(3) .
N2 C2 1.366(2) .
N1 C5 1.342(3) .
N1 C3 1.369(3) .
N1 Co1 2.1434(18) 8_665
N3 C13 1.332(3) .
N3 C17 1.347(3) .
N4 C22 1.332(3) .
N4 C18 1.347(3) .
O1 C1 1.247(3) .
O2 C1 1.282(3) .
O2 H2A 0.8200 .
O3 C4 1.272(3) .
O4 C4 1.260(3) .
O4 Co1 2.1538(15) 8_665
O5 C9 1.368(3) .
O5 C12 1.416(3) .
C1 C2 1.460(3) .
C2 C3 1.367(3) .
C3 C4 1.473(3) .
C5 C6 1.471(3) .
C6 C11 1.378(3) .
C6 C7 1.397(3) .
C11 C10 1.388(3) .
C11 H11 0.9300 .
C10 C9 1.387(3) .
C10 H10 0.9300 .
C9 C8 1.381(3) .
C8 C7 1.364(3) .
C8 H8 0.9300 .
C7 H7 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.375(3) .
C13 H13 0.9300 .
C14 C15 1.371(4) .
C14 H14 0.9300 .
C15 C16 1.362(4) .
C15 H15 0.9300 .
C16 C17 1.385(3) .
C16 H16 0.9300 .
C17 C18 1.468(3) .
C18 C19 1.384(3) .
C19 C20 1.375(4) .
C19 H19 0.9300 .
C20 C21 1.364(4) .
C20 H20 0.9300 .
C21 C22 1.382(4) .
C21 H21 0.9300 .
C22 H22 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O2 H2A O3 0.82 1.67 2.486(2) 174.4
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
N4 Co1 N2 C5 -79.1(3) .
N3 Co1 N2 C5 -1.3(3) .
N1 Co1 N2 C5 133.7(3) 8_655
O1 Co1 N2 C5 -178.6(3) .
O4 Co1 N2 C5 92.9(3) 8_655
N4 Co1 N2 C2 105.89(14) .
N3 Co1 N2 C2 -176.31(13) .
N1 Co1 N2 C2 -41.3(4) 8_655
O1 Co1 N2 C2 6.33(13) .
O4 Co1 N2 C2 -82.18(14) 8_655
N4 Co1 N3 C13 177.1(2) .
N2 Co1 N3 C13 84.1(2) .
N1 Co1 N3 C13 -87.6(2) 8_655
O1 Co1 N3 C13 -149.1(11) .
O4 Co1 N3 C13 -8.8(2) 8_655
N4 Co1 N3 C17 -10.81(15) .
N2 Co1 N3 C17 -103.81(16) .
N1 Co1 N3 C17 84.53(16) 8_655
O1 Co1 N3 C17 23.0(12) .
O4 Co1 N3 C17 163.32(15) 8_655
N3 Co1 N4 C22 -177.2(2) .
N2 Co1 N4 C22 -75.5(2) .
N1 Co1 N4 C22 98.1(2) 8_655
O1 Co1 N4 C22 4.6(2) .
O4 Co1 N4 C22 151.0(3) 8_655
N3 Co1 N4 C18 10.27(15) .
N2 Co1 N4 C18 111.98(16) .
N1 Co1 N4 C18 -74.39(16) 8_655
O1 Co1 N4 C18 -167.90(15) .
O4 Co1 N4 C18 -21.5(4) 8_655
N4 Co1 O1 C1 -101.67(16) .
N3 Co1 O1 C1 -135.1(11) .
N2 Co1 O1 C1 -7.76(15) .
N1 Co1 O1 C1 163.54(16) 8_655
O4 Co1 O1 C1 84.49(15) 8_655
Co1 O1 C1 O2 -172.98(19) .
Co1 O1 C1 C2 7.6(3) .
C5 N2 C2 C3 -0.4(2) .
Co1 N2 C2 C3 176.72(14) .
C5 N2 C2 C1 178.04(18) .
Co1 N2 C2 C1 -4.8(2) .
O1 C1 C2 N2 -1.9(3) .
O2 C1 C2 N2 178.6(2) .
O1 C1 C2 C3 176.1(2) .
O2 C1 C2 C3 -3.3(4) .
N2 C2 C3 N1 0.7(2) .
C1 C2 C3 N1 -177.5(2) .
N2 C2 C3 C4 175.8(2) .
C1 C2 C3 C4 -2.3(4) .
C5 N1 C3 C2 -0.6(2) .
Co1 N1 C3 C2 159.97(14) 8_665
C5 N1 C3 C4 -176.46(19) .
Co1 N1 C3 C4 -15.9(2) 8_665
Co1 O4 C4 O3 -167.82(19) 8_665
Co1 O4 C4 C3 11.5(3) 8_665
C2 C3 C4 O4 -171.3(2) .
N1 C3 C4 O4 3.4(3) .
C2 C3 C4 O3 8.0(4) .
N1 C3 C4 O3 -177.3(2) .
C3 N1 C5 N2 0.4(3) .
Co1 N1 C5 N2 -148.31(19) 8_665
C3 N1 C5 C6 -175.46(19) .
Co1 N1 C5 C6 35.9(4) 8_665
C2 N2 C5 N1 0.0(2) .
Co1 N2 C5 N1 -175.13(18) .
C2 N2 C5 C6 175.94(19) .
Co1 N2 C5 C6 0.8(4) .
N1 C5 C6 C11 49.3(3) .
N2 C5 C6 C11 -126.1(2) .
N1 C5 C6 C7 -134.3(2) .
N2 C5 C6 C7 50.2(3) .
C7 C6 C11 C10 -3.7(3) .
C5 C6 C11 C10 172.8(2) .
C6 C11 C10 C9 1.0(4) .
C12 O5 C9 C8 -160.4(2) .
C12 O5 C9 C10 20.0(3) .
C11 C10 C9 O5 -178.2(2) .
C11 C10 C9 C8 2.3(4) .
O5 C9 C8 C7 177.7(2) .
C10 C9 C8 C7 -2.7(4) .
C9 C8 C7 C6 -0.1(4) .
C11 C6 C7 C8 3.3(3) .
C5 C6 C7 C8 -173.2(2) .
C17 N3 C13 C14 -1.4(4) .
Co1 N3 C13 C14 170.5(2) .
N3 C13 C14 C15 0.5(5) .
C13 C14 C15 C16 0.9(5) .
C14 C15 C16 C17 -1.3(5) .
C13 N3 C17 C16 0.9(3) .
Co1 N3 C17 C16 -171.80(19) .
C13 N3 C17 C18 -177.5(2) .
Co1 N3 C17 C18 9.8(2) .
C15 C16 C17 N3 0.4(4) .
C15 C16 C17 C18 178.7(3) .
C22 N4 C18 C19 0.1(3) .
Co1 N4 C18 C19 173.17(19) .
C22 N4 C18 C17 178.4(2) .
Co1 N4 C18 C17 -8.5(2) .
N3 C17 C18 N4 -0.9(3) .
C16 C17 C18 N4 -179.2(2) .
N3 C17 C18 C19 177.4(2) .
C16 C17 C18 C19 -0.9(4) .
N4 C18 C19 C20 -0.4(4) .
C17 C18 C19 C20 -178.6(2) .
C18 C19 C20 C21 0.4(4) .
C19 C20 C21 C22 -0.1(5) .
C18 N4 C22 C21 0.2(4) .
Co1 N4 C22 C21 -172.1(2) .
C20 C21 C22 N4 -0.2(4) .
