#------------------------------------------------------------------------------
#$Date: 2023-08-08 04:21:30 +0300 (Tue, 08 Aug 2023) $
#$Revision: 285581 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/71/7247172.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_7247172
loop_
_publ_author_name
'Fan, Xiao-Xiang'
'Wang, Hong-Yu'
'Zhang, Bo'
'Kang, Xiu-Qi'
'Gu, Jin-Zhong'
'Xue, Ji-jun'
_publ_section_title
;
 Six metal--organic architectures from a 5-methoxyisophthalate linker:
 assembly, structural variety and catalytic features
;
_journal_issue                   34
_journal_name_full               'RSC Advances'
_journal_page_first              23745
_journal_page_last               23753
_journal_paper_doi               10.1039/D3RA04111E
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C19 H18 Co N2 O7'
_chemical_formula_weight         445.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-06-13 deposited with the CCDC.	2023-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 97.718(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8603(3)
_cell_length_b                   17.4505(5)
_cell_length_c                   12.4228(4)
_cell_measurement_reflns_used    6636
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      66.584
_cell_measurement_theta_min      4.395
_cell_volume                     1903.37(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APE-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0328
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6636
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        66.584
_diffrn_reflns_theta_max         66.584
_diffrn_reflns_theta_min         4.395
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    7.480
_exptl_absorpt_correction_T_max  0.400
_exptl_absorpt_correction_T_min  0.303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_description       block
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   0.326
_exptl_transmission_factor_min   0.274
_refine_diff_density_max         0.472
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0500P)²+0.3661P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0995
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2795
_reflns_number_total             3367
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ra04111e2.cif
_cod_data_source_block           480-20Co
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7247172
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.303
_shelx_estimated_absorpt_t_max   0.400
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.16181(5) 0.15177(2) 0.91985(3) 0.02907(13) Uani 1 1 d . . . . .
N1 N 0.3625(3) 0.17031(13) 0.84678(17) 0.0358(5) Uani 1 1 d . . . . .
N2 N 0.3347(2) 0.10248(12) 1.03075(17) 0.0321(5) Uani 1 1 d . . . . .
O1 O 0.2124(3) 0.26872(12) 1.00873(17) 0.0558(6) Uani 1 1 d . . . . .
O2 O 0.0648(3) 0.25894(11) 0.85654(16) 0.0520(6) Uani 1 1 d . . . . .
O3 O -0.0612(3) 0.60452(11) 0.72014(15) 0.0446(5) Uani 1 1 d . . . . .
O4 O -0.0678(2) 0.49556(11) 0.62954(15) 0.0424(5) Uani 1 1 d . . . . .
O5 O 0.3145(3) 0.54774(13) 1.06075(17) 0.0706(8) Uani 1 1 d . . . . .
O6 O -0.0173(2) 0.13265(11) 1.01182(15) 0.0401(5) Uani 1 1 d . . . . .
H1W H -0.0071 0.0880 1.0428 0.048 Uiso 1 1 d R U . . .
H2W H 0.0038 0.1249 0.9479 0.048 Uiso 1 1 d R U . . .
O7 O 0.9459(3) 0.25124(13) 0.14335(18) 0.0592(6) Uani 1 1 d . . . . .
H3W H 0.9846 0.2209 0.1018 0.071 Uiso 1 1 d R U . . .
H4W H 0.9810 0.2484 0.2086 0.071 Uiso 1 1 d R U . . .
C1 C 0.1376(3) 0.29931(16) 0.9285(2) 0.0388(7) Uani 1 1 d . . . . .
C2 C 0.1372(3) 0.38499(15) 0.9157(2) 0.0346(6) Uani 1 1 d . . . . .
C3 C 0.0549(3) 0.41888(15) 0.8250(2) 0.0326(6) Uani 1 1 d . . . . .
H3 H -0.0020 0.3886 0.7729 0.039 Uiso 1 1 calc R U . . .
C4 C 0.0574(3) 0.49750(15) 0.81225(19) 0.0309(6) Uani 1 1 d . . . . .
C5 C -0.0305(3) 0.53443(15) 0.7132(2) 0.0331(6) Uani 1 1 d . . . . .
C6 C 0.1419(3) 0.54286(16) 0.8909(2) 0.0392(7) Uani 1 1 d . . . . .
H6 H 0.1421 0.5959 0.8833 0.047 Uiso 1 1 calc R U . . .
C7 C 0.2256(4) 0.50873(17) 0.9804(2) 0.0450(7) Uani 1 1 d . . . . .
C8 C 0.2217(4) 0.42970(16) 0.9928(2) 0.0439(7) Uani 1 1 d . . . . .
H8 H 0.2765 0.4069 1.0536 0.053 Uiso 1 1 calc R U . . .
C9 C 0.3273(6) 0.6290(2) 1.0505(3) 0.0919(17) Uani 1 1 d . . . . .
H9B H 0.3665 0.6409 0.9840 0.138 Uiso 1 1 calc R U . . .
H9A H 0.3953 0.6487 1.1108 0.138 Uiso 1 1 calc R U . . .
H9C H 0.2288 0.6521 1.0496 0.138 Uiso 1 1 calc R U . . .
C10 C 0.3666(4) 0.20487(19) 0.7501(2) 0.0483(8) Uani 1 1 d . . . . .
H10 H 0.2753 0.2199 0.7098 0.058 Uiso 1 1 calc R U . . .
C11 C 0.5004(4) 0.2187(2) 0.7091(3) 0.0565(9) Uani 1 1 d . . . . .
H11 H 0.4995 0.2425 0.6420 0.068 Uiso 1 1 calc R U . . .
C12 C 0.6352(4) 0.1968(2) 0.7681(3) 0.0589(9) Uani 1 1 d . . . . .
H12 H 0.7270 0.2057 0.7418 0.071 Uiso 1 1 calc R U . . .
C13 C 0.6328(3) 0.16144(19) 0.8672(3) 0.0497(8) Uani 1 1 d . . . . .
H13 H 0.7232 0.1461 0.9084 0.060 Uiso 1 1 calc R U . . .
C14 C 0.4945(3) 0.14907(15) 0.9045(2) 0.0347(6) Uani 1 1 d . . . . .
C15 C 0.4789(3) 0.11053(15) 1.0092(2) 0.0327(6) Uani 1 1 d . . . . .
C16 C 0.6011(3) 0.08336(19) 1.0798(2) 0.0459(7) Uani 1 1 d . . . . .
H16 H 0.6996 0.0882 1.0625 0.055 Uiso 1 1 calc R U . . .
C17 C 0.5766(4) 0.0492(2) 1.1756(2) 0.0520(8) Uani 1 1 d . . . . .
H17 H 0.6582 0.0312 1.2240 0.062 Uiso 1 1 calc R U . . .
C18 C 0.4304(4) 0.0420(2) 1.1989(2) 0.0521(8) Uani 1 1 d . . . . .
H18 H 0.4108 0.0197 1.2636 0.063 Uiso 1 1 calc R U . . .
C19 C 0.3127(4) 0.06870(18) 1.1240(2) 0.0438(7) Uani 1 1 d . . . . .
H19 H 0.2134 0.0629 1.1392 0.053 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O3 Co1 N2 126.57(9) 2_546 . ?
O3 Co1 O6 97.18(8) 2_546 . ?
N2 Co1 O6 96.64(8) . . ?
O3 Co1 N1 89.57(9) 2_546 . ?
N2 Co1 N1 76.38(9) . . ?
O6 Co1 N1 172.36(8) . . ?
O3 Co1 O2 86.09(8) 2_546 . ?
N2 Co1 O2 144.26(9) . . ?
O6 Co1 O2 92.45(8) . . ?
N1 Co1 O2 91.58(9) . . ?
O3 Co1 O1 142.95(8) 2_546 . ?
N2 Co1 O1 88.33(8) . . ?
O6 Co1 O1 89.58(8) . . ?
N1 Co1 O1 87.16(9) . . ?
O2 Co1 O1 57.15(8) . . ?
O3 Co1 H2W 76.4 2_546 . ?
N2 Co1 H2W 109.1 . . ?
O6 Co1 H2W 20.8 . . ?
N1 Co1 H2W 165.5 . . ?
O2 Co1 H2W 90.9 . . ?
O1 Co1 H2W 106.1 . . ?
C14 N1 C10 118.4(3) . . ?
C14 N1 Co1 116.70(17) . . ?
C10 N1 Co1 124.9(2) . . ?
C19 N2 C15 118.1(2) . . ?
C19 N2 Co1 124.8(2) . . ?
C15 N2 Co1 117.00(17) . . ?
C1 O1 Co1 87.02(17) . . ?
C1 O2 Co1 94.94(18) . . ?
C5 O3 Co1 114.34(18) . 2_556 ?
C7 O5 C9 118.3(3) . . ?
Co1 O6 H1W 110.0 . . ?
Co1 O6 H2W 40.7 . . ?
H1W O6 H2W 104.4 . . ?
H3W O7 H4W 115.4 . . ?
O1 C1 O2 120.1(3) . . ?
O1 C1 C2 120.4(3) . . ?
O2 C1 C2 119.5(3) . . ?
C8 C2 C3 120.0(3) . . ?
C8 C2 C1 119.8(2) . . ?
C3 C2 C1 120.2(2) . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C6 119.9(2) . . ?
C3 C4 C5 120.2(2) . . ?
C6 C4 C5 119.9(2) . . ?
O4 C5 O3 123.3(3) . . ?
O4 C5 C4 119.8(2) . . ?
O3 C5 C4 116.9(2) . . ?
C7 C6 C4 119.8(3) . . ?
C7 C6 H6 120.1 . . ?
C4 C6 H6 120.1 . . ?
O5 C7 C6 124.4(3) . . ?
O5 C7 C8 115.7(3) . . ?
C6 C7 C8 119.9(3) . . ?
C2 C8 C7 120.3(3) . . ?
C2 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
O5 C9 H9B 109.5 . . ?
O5 C9 H9A 109.5 . . ?
H9B C9 H9A 109.5 . . ?
O5 C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
N1 C10 C11 122.4(3) . . ?
N1 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
C12 C11 C10 119.1(3) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
C11 C12 C13 119.1(3) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C14 119.2(3) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
N1 C14 C13 121.7(3) . . ?
N1 C14 C15 114.6(2) . . ?
C13 C14 C15 123.6(3) . . ?
N2 C15 C16 121.4(2) . . ?
N2 C15 C14 115.0(2) . . ?
C16 C15 C14 123.6(3) . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C18 C17 C16 119.0(3) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 118.5(3) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
N2 C19 C18 123.1(3) . . ?
N2 C19 H19 118.4 . . ?
C18 C19 H19 118.4 . . ?
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
Co1 O3 2.0205(19) 2_546 ?
Co1 N2 2.102(2) . ?
Co1 O6 2.1028(19) . ?
Co1 N1 2.127(2) . ?
Co1 O2 2.162(2) . ?
Co1 O1 2.335(2) . ?
Co1 H2W 1.5596 . ?
N1 C14 1.339(4) . ?
N1 C10 1.348(3) . ?
N2 C19 1.337(3) . ?
N2 C15 1.348(3) . ?
O1 C1 1.242(3) . ?
O2 C1 1.247(3) . ?
O3 C5 1.258(3) . ?
O3 Co1 2.0206(19) 2_556 ?
O4 C5 1.248(3) . ?
O5 C7 1.367(3) . ?
O5 C9 1.430(4) . ?
O6 H1W 0.8693 . ?
O6 H2W 0.8500 . ?
O7 H3W 0.8436 . ?
O7 H4W 0.8293 . ?
C1 C2 1.504(4) . ?
C2 C8 1.377(4) . ?
C2 C3 1.389(4) . ?
C3 C4 1.382(4) . ?
C3 H3 0.9300 . ?
C4 C6 1.395(4) . ?
C4 C5 1.509(3) . ?
C6 C7 1.385(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.389(4) . ?
C8 H8 0.9300 . ?
C9 H9B 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.374(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.369(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.380(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.384(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.486(4) . ?
C15 C16 1.383(4) . ?
C16 C17 1.374(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.371(4) . ?
C17 H17 0.9300 . ?
C18 C19 1.381(4) . ?
C18 H18 0.9300 . ?
C19 H19 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
_geom_hbond_site_symmetry_A
C16 H16 O4 0.93 2.57 3.224(4) 127.6 4_666
C13 H13 O6 0.93 2.49 3.405(4) 168.0 1_655
C10 H10 O1 0.93 2.49 3.158(4) 128.6 4_565
O7 H4W O2 0.83 1.89 2.721(3) 178.9 4_665
O7 H3W O6 0.84 1.90 2.684(3) 153.6 1_654
O7 H3W O1 0.84 2.60 3.086(3) 118.4 1_654
O6 H1W O4 0.87 1.93 2.742(3) 154.7 4_566
O6 H1W O4 0.87 1.93 2.742(3) 154.7 4_566
O7 H3W O1 0.84 2.60 3.086(3) 118.4 1_654
O7 H3W O6 0.84 1.90 2.684(3) 153.6 1_654
O7 H4W O2 0.83 1.89 2.721(3) 178.9 4_665
C10 H10 O1 0.93 2.49 3.158(4) 128.6 4_565
C13 H13 O6 0.93 2.49 3.405(4) 168.0 1_655
C16 H16 O4 0.93 2.57 3.224(4) 127.6 4_666
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
Co1 O1 C1 O2 8.6(3) . . . . ?
Co1 O1 C1 C2 -169.8(2) . . . . ?
Co1 O2 C1 O1 -9.3(3) . . . . ?
Co1 O2 C1 C2 169.1(2) . . . . ?
O1 C1 C2 C8 0.7(4) . . . . ?
O2 C1 C2 C8 -177.7(3) . . . . ?
O1 C1 C2 C3 179.2(3) . . . . ?
O2 C1 C2 C3 0.8(4) . . . . ?
C8 C2 C3 C4 -0.1(4) . . . . ?
C1 C2 C3 C4 -178.6(2) . . . . ?
C2 C3 C4 C6 -0.4(4) . . . . ?
C2 C3 C4 C5 179.3(2) . . . . ?
Co1 O3 C5 O4 -4.7(4) 2_556 . . . ?
Co1 O3 C5 C4 174.69(17) 2_556 . . . ?
C3 C4 C5 O4 -20.9(4) . . . . ?
C6 C4 C5 O4 158.8(3) . . . . ?
C3 C4 C5 O3 159.7(2) . . . . ?
C6 C4 C5 O3 -20.6(4) . . . . ?
C3 C4 C6 C7 1.4(4) . . . . ?
C5 C4 C6 C7 -178.4(3) . . . . ?
C9 O5 C7 C6 -2.5(5) . . . . ?
C9 O5 C7 C8 177.8(3) . . . . ?
C4 C6 C7 O5 178.6(3) . . . . ?
C4 C6 C7 C8 -1.7(5) . . . . ?
C3 C2 C8 C7 -0.2(4) . . . . ?
C1 C2 C8 C7 178.2(3) . . . . ?
O5 C7 C8 C2 -179.2(3) . . . . ?
C6 C7 C8 C2 1.1(5) . . . . ?
C14 N1 C10 C11 0.2(5) . . . . ?
Co1 N1 C10 C11 176.8(2) . . . . ?
N1 C10 C11 C12 -0.2(5) . . . . ?
C10 C11 C12 C13 0.1(6) . . . . ?
C11 C12 C13 C14 -0.2(5) . . . . ?
C10 N1 C14 C13 -0.3(4) . . . . ?
Co1 N1 C14 C13 -177.1(2) . . . . ?
C10 N1 C14 C15 -179.2(2) . . . . ?
Co1 N1 C14 C15 3.9(3) . . . . ?
C12 C13 C14 N1 0.3(5) . . . . ?
C12 C13 C14 C15 179.1(3) . . . . ?
C19 N2 C15 C16 1.4(4) . . . . ?
Co1 N2 C15 C16 176.9(2) . . . . ?
C19 N2 C15 C14 -179.6(2) . . . . ?
Co1 N2 C15 C14 -4.1(3) . . . . ?
N1 C14 C15 N2 0.0(3) . . . . ?
C13 C14 C15 N2 -178.9(3) . . . . ?
N1 C14 C15 C16 179.1(3) . . . . ?
C13 C14 C15 C16 0.2(4) . . . . ?
N2 C15 C16 C17 -1.8(5) . . . . ?
C14 C15 C16 C17 179.2(3) . . . . ?
C15 C16 C17 C18 0.6(5) . . . . ?
C16 C17 C18 C19 0.8(5) . . . . ?
C15 N2 C19 C18 0.2(4) . . . . ?
Co1 N2 C19 C18 -175.0(3) . . . . ?
C17 C18 C19 N2 -1.3(5) . . . . ?
