#------------------------------------------------------------------------------
#$Date: 2019-10-28 05:47:42 +0200 (Mon, 28 Oct 2019) $
#$Revision: 219772 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/45/4514588.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_4514588
loop_
_publ_author_name
'Shi, Jinbiao'
'Zhang, Jianling'
'Liang, Tongling'
'Tan, Dongxing'
'Tan, Xiuniang'
'Wan, Qiang'
'Cheng, Xiuyan'
'Zhang, Bingxing'
'Han, Buxing'
'Liu, Lifei'
'Zhang, Fanyu'
'Chen, Gang'
_publ_section_title
;
 Bipyridyl-Containing Cadmium-Organic Frameworks for Efficient
 Photocatalytic Oxidation of Benzylamine.
;
_journal_issue                   34
_journal_name_full               'ACS applied materials & interfaces'
_journal_page_first              30953
_journal_page_last               30958
_journal_paper_doi               10.1021/acsami.9b09879
_journal_volume                  11
_journal_year                    2019
_chemical_formula_moiety         'C20 H16 Cd N2 O4'
_chemical_formula_sum            'C20 H16 Cd N2 O4'
_chemical_formula_weight         460.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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     dual
_audit_creation_date             2018-01-12
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2019-02-22 deposited with the CCDC.    2019-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.250(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.541(4)
_cell_length_b                   10.475(2)
_cell_length_c                   19.288(4)
_cell_measurement_reflns_used    5075
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.4844
_cell_measurement_theta_min      2.1974
_cell_volume                     3745.2(13)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'CIFTAB (Sheldrick, 2013)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_av_unetI/netI     0.0236
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            11594
_diffrn_reflns_point_group_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         2.197
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.194
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       prism
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.251
_exptl_crystal_size_mid          0.239
_exptl_crystal_size_min          0.094
_refine_diff_density_max         2.491
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4208
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0422P)²+45.0510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4066
_reflns_number_total             4208
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            am9b09879_si_004.cif
_cod_data_source_block           Cd-bdc-2Mebpy
_cod_original_cell_volume        3745.1(12)
_cod_database_code               4514588
_shelx_shelxl_version_number     2016/6
_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_max   0.896
_shelx_estimated_absorpt_t_min   0.754
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C7-C1
 1.51 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C6(H6), C9(H9), C10(H10), C12(H12), C15(H15),
 C17(H17), C18(H18)
4.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
Cd1 Cd 0.33494(2) 0.27515(3) 0.55213(2) 0.01867(11) Uani 1 1 d . .
N1 N 0.44712(19) 0.3287(4) 0.60332(19) 0.0231(7) Uani 1 1 d . .
O1 O 0.28774(17) 0.1545(3) 0.46210(16) 0.0257(6) Uani 1 1 d . .
C1 C 0.3350(2) 0.0958(4) 0.3532(2) 0.0240(8) Uani 1 1 d D .
N2 N 0.36013(19) 0.4876(4) 0.52918(19) 0.0224(7) Uani 1 1 d . .
O2 O 0.3932(2) 0.2342(4) 0.43429(19) 0.0374(8) Uani 1 1 d . .
C2 C 0.2889(2) -0.0086(5) 0.3457(2) 0.0264(9) Uani 1 1 d . .
H2 H 0.258653 -0.032216 0.382668 0.032 Uiso 1 1 calc R .
C3 C 0.2869(2) -0.0782(5) 0.2845(2) 0.0264(9) Uani 1 1 d . .
H3 H 0.257070 -0.151741 0.280702 0.032 Uiso 1 1 calc R .
O3 O 0.2981(2) -0.2246(4) 0.16404(19) 0.0426(10) Uani 1 1 d . .
O4 O 0.3526(2) -0.0710(4) 0.10914(18) 0.0400(9) Uani 1 1 d . .
C4 C 0.3281(2) -0.0410(5) 0.2287(2) 0.0263(9) Uani 1 1 d . .
C5 C 0.3731(3) 0.0641(5) 0.2353(3) 0.0362(11) Uani 1 1 d . .
H5 H 0.400751 0.090988 0.197095 0.043 Uiso 1 1 calc R .
C6 C 0.3781(3) 0.1302(5) 0.2978(3) 0.0348(11) Uani 1 1 d . .
H6 H 0.410946 0.199342 0.302681 0.042 Uiso 1 1 calc R .
C7 C 0.33652(16) 0.1770(3) 0.42120(15) 0.0060(6) Uiso 1 1 d D U
C8 C 0.31879(19) -0.1181(4) 0.16209(19) 0.0139(7) Uiso 1 1 d . U
C9 C 0.4881(3) 0.2487(5) 0.6414(3) 0.0324(10) Uani 1 1 d . .
H9 H 0.473231 0.162150 0.644768 0.039 Uiso 1 1 calc R .
C10 C 0.5502(3) 0.2850(6) 0.6759(3) 0.0369(12) Uani 1 1 d . .
H10 H 0.577458 0.224585 0.702227 0.044 Uiso 1 1 calc R .
C11 C 0.5728(3) 0.4115(6) 0.6717(3) 0.0382(12) Uani 1 1 d . .
C12 C 0.5306(3) 0.4948(5) 0.6324(3) 0.0314(10) Uani 1 1 d . .
H12 H 0.544374 0.581819 0.628432 0.038 Uiso 1 1 calc R .
C13 C 0.4685(2) 0.4514(4) 0.5988(2) 0.0218(8) Uani 1 1 d . .
C14 C 0.4217(2) 0.5375(4) 0.5558(2) 0.0210(8) Uani 1 1 d . .
C15 C 0.4411(2) 0.6640(4) 0.5430(2) 0.0263(9) Uani 1 1 d . .
H15 H 0.484863 0.696757 0.562299 0.032 Uiso 1 1 calc R .
C16 C 0.3969(3) 0.7423(5) 0.5024(3) 0.0295(10) Uani 1 1 d . .
C17 C 0.3344(3) 0.6876(5) 0.4740(3) 0.0319(10) Uani 1 1 d . .
H17 H 0.303388 0.736474 0.444551 0.038 Uiso 1 1 calc R .
C18 C 0.3178(2) 0.5620(5) 0.4890(2) 0.0284(9) Uani 1 1 d . .
H18 H 0.274505 0.526832 0.469917 0.034 Uiso 1 1 calc R .
C19 C 0.6402(4) 0.4580(8) 0.7086(4) 0.063(2) Uani 1 1 d . .
H19A H 0.631907 0.462483 0.758556 0.095 Uiso 1 1 calc GR .
H19B H 0.652711 0.542950 0.691355 0.095 Uiso 1 1 calc GR .
H19C H 0.679913 0.398702 0.699932 0.095 Uiso 1 1 calc GR .
C20 C 0.4167(3) 0.8788(5) 0.4902(3) 0.0410(12) Uani 1 1 d . .
H20A H 0.392526 0.933184 0.523901 0.061 Uiso 1 1 calc GR .
H20B H 0.401366 0.903680 0.443121 0.061 Uiso 1 1 calc GR .
H20C H 0.469039 0.889090 0.495447 0.061 Uiso 1 1 calc GR .
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'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Cd1 O1 143.33(12) . 7_556
N1 Cd1 O2 91.49(12) . .
N1 Cd1 O4 84.88(13) . 6_556
N1 Cd1 C7 116.84(11) . .
N1 Cd1 C8 85.87(12) . 6_556
O1 Cd1 N1 139.92(12) . .
O1 Cd1 O1 74.87(12) . 7_556
O1 Cd1 N2 117.21(12) . .
O1 Cd1 O2 111.41(12) 7_556 .
O1 Cd1 O2 53.36(11) . .
O1 Cd1 O3 117.23(14) . 6_556
O1 Cd1 O4 84.44(12) . 6_556
O1 Cd1 O4 116.15(13) 7_556 6_556
O1 Cd1 C7 92.24(10) 7_556 .
O1 Cd1 C7 26.78(10) . .
O1 Cd1 C8 98.94(11) 7_556 6_556
O1 Cd1 C8 102.15(12) . 6_556
N2 Cd1 N1 70.80(13) . .
N2 Cd1 O1 82.98(12) . 7_556
N2 Cd1 O2 84.32(13) . .
N2 Cd1 O3 117.22(15) . 6_556
N2 Cd1 O4 155.22(13) . 6_556
N2 Cd1 C7 100.29(11) . .
N2 Cd1 C8 139.41(12) . 6_556
O2 Cd1 C7 26.67(10) . .
O2 Cd1 C8 130.30(12) . 6_556
O3 Cd1 N1 86.55(14) 6_556 .
O3 Cd1 O1 83.11(12) 6_556 7_556
O3 Cd1 O2 156.07(15) 6_556 .
O3 Cd1 O4 54.61(14) 6_556 6_556
O3 Cd1 C7 141.13(14) 6_556 .
O3 Cd1 C8 25.78(13) 6_556 6_556
O4 Cd1 O2 101.46(13) 6_556 .
O4 Cd1 C7 94.79(11) 6_556 .
O4 Cd1 C8 28.85(12) 6_556 6_556
C8 Cd1 C7 120.02(10) 6_556 .
C9 N1 Cd1 124.5(3) . .
C9 N1 C13 117.9(4) . .
C13 N1 Cd1 117.3(3) . .
Cd1 O1 Cd1 105.13(12) . 7_556
C7 O1 Cd1 96.0(2) . .
C7 O1 Cd1 125.0(2) . 7_556
C2 C1 C6 118.8(4) . .
C2 C1 C7 121.0(4) . .
C6 C1 C7 120.2(4) . .
C14 N2 Cd1 118.2(3) . .
C18 N2 Cd1 123.4(3) . .
C18 N2 C14 118.4(4) . .
C7 O2 Cd1 83.6(2) . .
C1 C2 H2 119.8 . .
C3 C2 C1 120.4(4) . .
C3 C2 H2 119.8 . .
C2 C3 H3 119.8 . .
C2 C3 C4 120.4(4) . .
C4 C3 H3 119.8 . .
C8 O3 Cd1 94.8(3) . 6
C8 O4 Cd1 87.6(3) . 6
C3 C4 C8 116.7(4) . .
C5 C4 C3 119.5(4) . .
C5 C4 C8 123.8(4) . .
C4 C5 H5 119.9 . .
C4 C5 C6 120.3(5) . .
C6 C5 H5 119.9 . .
C1 C6 H6 119.8 . .
C5 C6 C1 120.5(5) . .
C5 C6 H6 119.8 . .
O1 C7 Cd1 57.19(19) . .
O1 C7 C1 115.6(3) . .
C1 C7 Cd1 169.0(2) . .
O2 C7 Cd1 69.7(2) . .
O2 C7 O1 126.6(3) . .
O2 C7 C1 115.9(3) . .
O3 C8 Cd1 59.5(2) . 6
O3 C8 O4 122.9(4) . .
O3 C8 C4 120.3(4) . .
O4 C8 Cd1 63.5(2) . 6
O4 C8 C4 114.3(4) . .
C4 C8 Cd1 166.0(3) . 6
N1 C9 H9 118.2 . .
N1 C9 C10 123.6(5) . .
C10 C9 H9 118.2 . .
C9 C10 H10 120.4 . .
C9 C10 C11 119.1(5) . .
C11 C10 H10 120.4 . .
C10 C11 C19 121.9(5) . .
C12 C11 C10 117.6(5) . .
C12 C11 C19 120.5(5) . .
C11 C12 H12 119.9 . .
C13 C12 C11 120.2(5) . .
C13 C12 H12 119.9 . .
N1 C13 C12 121.6(4) . .
N1 C13 C14 116.4(4) . .
C12 C13 C14 122.0(4) . .
N2 C14 C13 117.1(4) . .
N2 C14 C15 121.3(4) . .
C15 C14 C13 121.6(4) . .
C14 C15 H15 119.7 . .
C16 C15 C14 120.7(4) . .
C16 C15 H15 119.7 . .
C15 C16 C17 116.9(4) . .
C15 C16 C20 120.7(5) . .
C17 C16 C20 122.3(5) . .
C16 C17 H17 120.1 . .
C18 C17 C16 119.8(4) . .
C18 C17 H17 120.1 . .
N2 C18 C17 122.9(4) . .
N2 C18 H18 118.6 . .
C17 C18 H18 118.6 . .
C11 C19 H19A 109.5 . .
C11 C19 H19B 109.5 . .
C11 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C16 C20 H20A 109.5 . .
C16 C20 H20B 109.5 . .
C16 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N1 2.351(4) .
Cd1 O1 2.401(3) 7_556
Cd1 O1 2.305(3) .
Cd1 N2 2.319(4) .
Cd1 O2 2.574(4) .
Cd1 O3 2.339(4) 6_556
Cd1 O4 2.424(4) 6_556
Cd1 C7 2.727(3) .
Cd1 C8 2.706(4) 6_556
N1 C9 1.339(6) .
N1 C13 1.349(6) .
O1 C7 1.236(4) .
C1 C2 1.394(6) .
C1 C6 1.396(6) .
C1 C7 1.562(5) .
N2 C14 1.347(5) .
N2 C18 1.340(6) .
O2 C7 1.232(5) .
C2 H2 0.9500 .
C2 C3 1.387(6) .
C3 H3 0.9500 .
C3 C4 1.389(7) .
O3 C8 1.181(6) .
O4 C8 1.307(5) .
C4 C5 1.385(7) .
C4 C8 1.524(6) .
C5 H5 0.9500 .
C5 C6 1.390(7) .
C6 H6 0.9500 .
C9 H9 0.9500 .
C9 C10 1.371(7) .
C10 H10 0.9500 .
C10 C11 1.393(8) .
C11 C12 1.387(7) .
C11 C19 1.505(7) .
C12 H12 0.9500 .
C12 C13 1.386(6) .
C13 C14 1.491(6) .
C14 C15 1.395(6) .
C15 H15 0.9500 .
C15 C16 1.389(7) .
C16 C17 1.394(7) .
C16 C20 1.496(7) .
C17 H17 0.9500 .
C17 C18 1.384(7) .
C18 H18 0.9500 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
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_4
Cd1 N1 C9 C10 -174.0(4) . .
Cd1 N1 C13 C12 174.3(4) . .
Cd1 N1 C13 C14 -5.7(5) . .
Cd1 O1 C7 Cd1 113.2(3) 7_556 .
Cd1 O1 C7 C1 170.5(3) . .
Cd1 O1 C7 C1 -76.3(4) 7_556 .
Cd1 O1 C7 O2 7.4(4) . .
Cd1 O1 C7 O2 120.6(4) 7_556 .
Cd1 N2 C14 C13 -0.6(5) . .
Cd1 N2 C14 C15 178.7(3) . .
Cd1 N2 C18 C17 -178.1(4) . .
Cd1 O2 C7 O1 -6.6(4) . .
Cd1 O2 C7 C1 -169.7(3) . .
Cd1 O3 C8 O4 -2.7(5) 6 .
Cd1 O3 C8 C4 -163.8(3) 6 .
Cd1 O4 C8 O3 2.6(4) 6 .
Cd1 O4 C8 C4 164.7(3) 6 .
N1 C9 C10 C11 0.1(9) . .
N1 C13 C14 N2 4.2(6) . .
N1 C13 C14 C15 -175.1(4) . .
C1 C2 C3 C4 -3.2(7) . .
N2 C14 C15 C16 0.2(7) . .
C2 C1 C6 C5 2.1(8) . .
C2 C1 C7 Cd1 36.4(15) . .
C2 C1 C7 O1 -10.2(6) . .
C2 C1 C7 O2 154.7(4) . .
C2 C3 C4 C5 2.0(7) . .
C2 C3 C4 C8 -176.2(4) . .
C3 C4 C5 C6 1.2(8) . .
C3 C4 C8 Cd1 -109.6(11) . 6
C3 C4 C8 O3 -24.5(6) . .
C3 C4 C8 O4 172.8(4) . .
C4 C5 C6 C1 -3.3(9) . .
C5 C4 C8 Cd1 72.3(13) . 6
C5 C4 C8 O3 157.4(5) . .
C5 C4 C8 O4 -5.3(6) . .
C6 C1 C2 C3 1.1(7) . .
C6 C1 C7 Cd1 -146.3(11) . .
C6 C1 C7 O1 167.1(4) . .
C6 C1 C7 O2 -27.9(6) . .
C7 C1 C2 C3 178.5(4) . .
C7 C1 C6 C5 -175.3(5) . .
C8 C4 C5 C6 179.3(5) . .
C9 N1 C13 C12 -0.1(7) . .
C9 N1 C13 C14 179.9(4) . .
C9 C10 C11 C12 -0.1(8) . .
C9 C10 C11 C19 179.6(6) . .
C10 C11 C12 C13 -0.1(8) . .
C11 C12 C13 N1 0.2(8) . .
C11 C12 C13 C14 -179.8(5) . .
C12 C13 C14 N2 -175.8(4) . .
C12 C13 C14 C15 4.9(7) . .
C13 N1 C9 C10 0.0(7) . .
C13 C14 C15 C16 179.5(4) . .
C14 N2 C18 C17 -0.4(7) . .
C14 C15 C16 C17 -1.8(7) . .
C14 C15 C16 C20 178.4(5) . .
C15 C16 C17 C18 2.2(7) . .
C16 C17 C18 N2 -1.2(8) . .
C18 N2 C14 C13 -178.5(4) . .
C18 N2 C14 C15 0.8(6) . .
C19 C11 C12 C13 -179.7(6) . .
C20 C16 C17 C18 -178.0(5) . .
