#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/30/7223012.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_7223012
loop_
_publ_author_name
'Ye, Run-Ping'
'Zhang, Xin'
'Zhai, Ji-Quan'
'Qin, Ye-Yan'
'Zhang, Lei'
'Yao, Yuan-Gen'
'Zhang, Jian'
_publ_section_title
;
 N-donor ligands enhancing luminescence properties of seven Zn/Cd(ii) MOFs
 based on a large rigid π-conjugated carboxylate ligand
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              9155
_journal_paper_doi               10.1039/C5CE01884F
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C21 H13 Cd N2 O5'
_chemical_formula_sum            'C21 H13 Cd N2 O5'
_chemical_formula_weight         485.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-10-21 deposited with the CCDC.
2015-10-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.847(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9520(3)
_cell_length_b                   12.9516(4)
_cell_length_c                   13.4675(5)
_cell_measurement_reflns_used    2981
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1710
_cell_measurement_theta_min      2.9310
_cell_volume                     1677.93(10)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5981
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.64
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  0
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.342
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   crystalclear
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             964.0
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.425
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         2947
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0326
_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)+(0.0237P)²+1.1540P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0691
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                2534
_reflns_number_total             2947
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01884f2.cif
_cod_data_source_block           Compound-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 7223010--7223016.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7223012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.57991(3) 0.07139(2) 0.11307(2) 0.02460(11) Uani 1 1 d .
O1 O 0.7693(3) 0.4368(2) 0.3531(2) 0.0329(7) Uani 1 1 d .
O2 O 0.6637(3) 0.5856(2) 0.3484(2) 0.0425(8) Uani 1 1 d .
O3 O 0.1713(3) 0.5827(2) 0.3791(2) 0.0395(7) Uani 1 1 d .
O4 O 0.0881(3) 0.4431(2) 0.4317(2) 0.0322(6) Uani 1 1 d .
O5 O 0.5977(3) 0.1243(2) 0.2877(2) 0.0327(6) Uani 1 1 d .
N1 N 0.4191(3) 0.1598(2) 0.3649(2) 0.0287(8) Uani 1 1 d .
N2 N 0.5552(3) 0.2373(2) 0.0655(2) 0.0269(7) Uani 1 1 d .
C1 C 0.6638(4) 0.4892(3) 0.3526(3) 0.0274(9) Uani 1 1 d .
C2 C 0.1827(4) 0.4899(3) 0.4020(3) 0.0256(9) Uani 1 1 d .
C3 C 0.3058(4) 0.4316(3) 0.3871(3) 0.0275(9) Uani 1 1 d .
C4 C 0.4198(4) 0.4846(3) 0.3726(3) 0.0290(9) Uani 1 1 d .
H4 H 0.4187 0.5564 0.3708 0.035 Uiso 1 1 calc R
C5 C 0.5351(4) 0.4319(3) 0.3608(3) 0.0269(9) Uani 1 1 d .
C6 C 0.5362(4) 0.3241(3) 0.3602(3) 0.0295(9) Uani 1 1 d .
H6 H 0.6151 0.2890 0.3540 0.035 Uiso 1 1 calc R
C7 C 0.4202(4) 0.2692(3) 0.3689(3) 0.0279(9) Uani 1 1 d .
C8 C 0.3070(4) 0.3234(3) 0.3856(3) 0.0296(9) Uani 1 1 d .
H8 H 0.2310 0.2872 0.3959 0.036 Uiso 1 1 calc R
C9 C 0.3133(4) 0.1005(3) 0.3978(4) 0.0393(11) Uani 1 1 d .
H9A H 0.2210 0.1158 0.3552 0.047 Uiso 1 1 calc R
H9B H 0.3159 0.1149 0.4690 0.047 Uiso 1 1 calc R
C10 C 0.5038(4) 0.0968(3) 0.3269(3) 0.0294(9) Uani 1 1 d .
C11 C 0.4639(4) -0.0093(3) 0.3408(3) 0.0309(9) Uani 1 1 d .
C12 C 0.3531(4) -0.0092(3) 0.3842(3) 0.0352(10) Uani 1 1 d .
C13 C 0.2969(5) -0.1018(4) 0.4043(4) 0.0524(13) Uani 1 1 d .
H13 H 0.2209 -0.1024 0.4326 0.063 Uiso 1 1 calc R
C14 C 0.3531(6) -0.1928(3) 0.3825(4) 0.0529(13) Uani 1 1 d .
H14 H 0.3157 -0.2552 0.3967 0.063 Uiso 1 1 calc R
C15 C 0.4672(5) -0.1926(3) 0.3387(3) 0.0453(12) Uani 1 1 d .
H15 H 0.5057 -0.2546 0.3245 0.054 Uiso 1 1 calc R
C16 C 0.5217(5) -0.1001(3) 0.3169(3) 0.0381(10) Uani 1 1 d .
H16 H 0.5959 -0.0988 0.2867 0.046 Uiso 1 1 calc R
C17 C 0.6236(4) 0.3112(3) 0.1254(3) 0.0346(10) Uani 1 1 d .
H17 H 0.6867 0.2923 0.1864 0.041 Uiso 1 1 calc R
C18 C 0.4684(4) 0.2652(3) -0.0233(3) 0.0388(11) Uani 1 1 d .
H18 H 0.4206 0.2141 -0.0668 0.047 Uiso 1 1 calc R
C19 C 0.4468(5) 0.3664(3) -0.0529(3) 0.0411(11) Uani 1 1 d .
H19 H 0.3880 0.3826 -0.1166 0.049 Uiso 1 1 calc R
C20 C 0.6063(4) 0.4138(3) 0.1021(3) 0.0328(10) Uani 1 1 d .
H20 H 0.6575 0.4627 0.1467 0.039 Uiso 1 1 calc R
C21 C 0.5131(4) 0.4452(3) 0.0125(3) 0.0256(9) Uani 1 1 d .
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'
Cd Cd -0.8075 1.2024 '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
N2 Cd1 O1 144.48(10) . 2_645
N2 Cd1 O4 126.37(10) . 2_545
O1 Cd1 O4 84.14(9) 2_645 2_545
N2 Cd1 O5 88.94(10) . .
O1 Cd1 O5 98.19(9) 2_645 .
O4 Cd1 O5 108.91(9) 2_545 .
N2 Cd1 O4 79.60(10) . 4_665
O1 Cd1 O4 87.29(9) 2_645 4_665
O4 Cd1 O4 83.86(9) 2_545 4_665
O5 Cd1 O4 166.48(9) . 4_665
N2 Cd1 O2 91.17(10) . 2_645
O1 Cd1 O2 54.70(9) 2_645 2_645
O4 Cd1 O2 137.86(9) 2_545 2_645
O5 Cd1 O2 87.72(9) . 2_645
O4 Cd1 O2 85.39(9) 4_665 2_645
N2 Cd1 O3 85.35(10) . 2_545
O1 Cd1 O3 130.17(9) 2_645 2_545
O4 Cd1 O3 53.15(9) 2_545 2_545
O5 Cd1 O3 76.67(9) . 2_545
O4 Cd1 O3 109.17(9) 4_665 2_545
O2 Cd1 O3 164.05(10) 2_645 2_545
N2 Cd1 C1 117.32(12) . 2_645
O1 Cd1 C1 27.49(10) 2_645 2_645
O4 Cd1 C1 110.42(11) 2_545 2_645
O5 Cd1 C1 96.60(10) . 2_645
O4 Cd1 C1 82.54(10) 4_665 2_645
O2 Cd1 C1 27.59(10) 2_645 2_645
O3 Cd1 C1 156.53(10) 2_545 2_645
C1 O1 Cd1 95.5(2) . 2_655
C1 O2 Cd1 85.8(2) . 2_655
C2 O3 Cd1 87.8(2) . 2
C2 O4 Cd1 96.9(2) . 2
C2 O4 Cd1 124.3(2) . 4_566
Cd1 O4 Cd1 96.14(9) 2 4_566
C10 O5 Cd1 117.3(2) . .
C10 N1 C7 127.8(3) . .
C10 N1 C9 111.3(3) . .
C7 N1 C9 120.8(3) . .
C17 N2 C18 117.7(3) . .
C17 N2 Cd1 121.3(3) . .
C18 N2 Cd1 121.0(2) . .
O1 C1 O2 122.3(3) . .
O1 C1 C5 117.4(3) . .
O2 C1 C5 120.2(3) . .
O1 C1 Cd1 57.04(18) . 2_655
O2 C1 Cd1 66.6(2) . 2_655
C5 C1 Cd1 165.2(3) . 2_655
O3 C2 O4 120.9(3) . .
O3 C2 C3 118.8(3) . .
O4 C2 C3 120.1(3) . .
C4 C3 C8 119.0(3) . .
C4 C3 C2 119.9(3) . .
C8 C3 C2 121.1(3) . .
C5 C4 C3 120.5(3) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 120.2(3) . .
C4 C5 C1 120.8(3) . .
C6 C5 C1 118.9(3) . .
C7 C6 C5 120.3(3) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C8 118.7(3) . .
C6 C7 N1 120.5(3) . .
C8 C7 N1 120.7(3) . .
C7 C8 C3 121.1(3) . .
C7 C8 H8 119.5 . .
C3 C8 H8 119.5 . .
N1 C9 C12 103.1(3) . .
N1 C9 H9A 111.1 . .
C12 C9 H9A 111.1 . .
N1 C9 H9B 111.1 . .
C12 C9 H9B 111.1 . .
H9A C9 H9B 109.1 . .
O5 C10 N1 126.5(4) . .
O5 C10 C11 126.0(4) . .
N1 C10 C11 107.5(3) . .
C12 C11 C16 121.8(4) . .
C12 C11 C10 109.2(4) . .
C16 C11 C10 129.0(4) . .
C11 C12 C13 119.5(4) . .
C11 C12 C9 108.6(4) . .
C13 C12 C9 131.9(4) . .
C14 C13 C12 119.9(5) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C13 C14 C15 120.4(4) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 119.7(4) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C15 C16 C11 118.7(4) . .
C15 C16 H16 120.6 . .
C11 C16 H16 120.6 . .
N2 C17 C20 123.3(4) . .
N2 C17 H17 118.3 . .
C20 C17 H17 118.3 . .
N2 C18 C19 122.5(4) . .
N2 C18 H18 118.7 . .
C19 C18 H18 118.7 . .
C18 C19 C21 120.0(4) . .
C18 C19 H19 120.0 . .
C21 C19 H19 120.0 . .
C17 C20 C21 120.2(4) . .
C17 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C20 C21 C19 116.0(3) . .
C20 C21 C21 121.7(4) . 3_665
C19 C21 C21 122.3(4) . 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N2 2.237(3) .
Cd1 O1 2.269(2) 2_645
Cd1 O4 2.325(3) 2_545
Cd1 O5 2.412(3) .
Cd1 O4 2.472(3) 4_665
Cd1 O2 2.477(3) 2_645
Cd1 O3 2.533(3) 2_545
Cd1 C1 2.692(4) 2_645
O1 C1 1.248(4) .
O1 Cd1 2.269(2) 2_655
O2 C1 1.250(4) .
O2 Cd1 2.477(3) 2_655
O3 C2 1.239(4) .
O3 Cd1 2.533(3) 2
O4 C2 1.267(4) .
O4 Cd1 2.325(3) 2
O4 Cd1 2.472(3) 4_566
O5 C10 1.237(4) .
N1 C10 1.364(5) .
N1 C7 1.418(5) .
N1 C9 1.460(5) .
N2 C17 1.322(5) .
N2 C18 1.333(5) .
C1 C5 1.509(5) .
C1 Cd1 2.692(4) 2_655
C2 C3 1.496(5) .
C3 C4 1.383(5) .
C3 C8 1.401(5) .
C4 C5 1.379(5) .
C4 H4 0.9300 .
C5 C6 1.396(5) .
C6 C7 1.387(5) .
C6 H6 0.9300 .
C7 C8 1.394(5) .
C8 H8 0.9300 .
C9 C12 1.499(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.456(5) .
C11 C12 1.374(5) .
C11 C16 1.383(5) .
C12 C13 1.380(6) .
C13 C14 1.368(6) .
C13 H13 0.9300 .
C14 C15 1.408(7) .
C14 H14 0.9300 .
C15 C16 1.376(6) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C20 1.366(5) .
C17 H17 0.9300 .
C18 C19 1.371(5) .
C18 H18 0.9300 .
C19 C21 1.398(5) .
C19 H19 0.9300 .
C20 C21 1.382(5) .
C20 H20 0.9300 .
C21 C21 1.467(7) 3_665
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
N2 Cd1 O5 C10 114.4(3) . .
O1 Cd1 O5 C10 -100.5(3) 2_645 .
O4 Cd1 O5 C10 -14.0(3) 2_545 .
O4 Cd1 O5 C10 146.2(4) 4_665 .
O2 Cd1 O5 C10 -154.4(3) 2_645 .
O3 Cd1 O5 C10 28.9(3) 2_545 .
C1 Cd1 O5 C10 -128.2(3) 2_645 .
O1 Cd1 N2 C17 -66.3(4) 2_645 .
O4 Cd1 N2 C17 149.3(3) 2_545 .
O5 Cd1 N2 C17 36.4(3) . .
O4 Cd1 N2 C17 -136.4(3) 4_665 .
O2 Cd1 N2 C17 -51.3(3) 2_645 .
O3 Cd1 N2 C17 113.1(3) 2_545 .
C1 Cd1 N2 C17 -60.5(3) 2_645 .
O1 Cd1 N2 C18 115.2(3) 2_645 .
O4 Cd1 N2 C18 -29.2(4) 2_545 .
O5 Cd1 N2 C18 -142.1(3) . .
O4 Cd1 N2 C18 45.1(3) 4_665 .
O2 Cd1 N2 C18 130.2(3) 2_645 .
O3 Cd1 N2 C18 -65.4(3) 2_545 .
C1 Cd1 N2 C18 121.0(3) 2_645 .
Cd1 O1 C1 O2 14.0(4) 2_655 .
Cd1 O1 C1 C5 -164.1(3) 2_655 .
Cd1 O2 C1 O1 -12.8(4) 2_655 .
Cd1 O2 C1 C5 165.2(3) 2_655 .
Cd1 O3 C2 O4 -10.8(3) 2 .
Cd1 O3 C2 C3 165.1(3) 2 .
Cd1 O4 C2 O3 11.9(4) 2 .
Cd1 O4 C2 O3 -90.4(4) 4_566 .
Cd1 O4 C2 C3 -163.9(3) 2 .
Cd1 O4 C2 C3 93.8(4) 4_566 .
O3 C2 C3 C4 15.6(5) . .
O4 C2 C3 C4 -168.5(3) . .
O3 C2 C3 C8 -163.2(4) . .
O4 C2 C3 C8 12.7(5) . .
C8 C3 C4 C5 -2.4(6) . .
C2 C3 C4 C5 178.7(3) . .
C3 C4 C5 C6 1.9(6) . .
C3 C4 C5 C1 -175.6(3) . .
O1 C1 C5 C4 172.5(3) . .
O2 C1 C5 C4 -5.6(5) . .
Cd1 C1 C5 C4 108.3(10) 2_655 .
O1 C1 C5 C6 -5.0(5) . .
O2 C1 C5 C6 176.9(4) . .
Cd1 C1 C5 C6 -69.2(11) 2_655 .
C4 C5 C6 C7 1.6(6) . .
C1 C5 C6 C7 179.2(3) . .
C5 C6 C7 C8 -4.6(5) . .
C5 C6 C7 N1 177.9(3) . .
C10 N1 C7 C6 -18.8(6) . .
C9 N1 C7 C6 165.4(4) . .
C10 N1 C7 C8 163.7(4) . .
C9 N1 C7 C8 -12.2(5) . .
C6 C7 C8 C3 4.1(6) . .
N1 C7 C8 C3 -178.3(3) . .
C4 C3 C8 C7 -0.6(6) . .
C2 C3 C8 C7 178.2(3) . .
C10 N1 C9 C12 5.3(4) . .
C7 N1 C9 C12 -178.2(3) . .
Cd1 O5 C10 N1 -120.7(4) . .
Cd1 O5 C10 C11 59.4(5) . .
C7 N1 C10 O5 -0.6(6) . .
C9 N1 C10 O5 175.5(4) . .
C7 N1 C10 C11 179.3(3) . .
C9 N1 C10 C11 -4.5(4) . .
O5 C10 C11 C12 -178.3(4) . .
N1 C10 C11 C12 1.7(4) . .
O5 C10 C11 C16 1.8(7) . .
N1 C10 C11 C16 -178.2(4) . .
C16 C11 C12 C13 -0.3(6) . .
C10 C11 C12 C13 179.8(4) . .
C16 C11 C12 C9 -178.5(4) . .
C10 C11 C12 C9 1.6(5) . .
N1 C9 C12 C11 -4.1(5) . .
N1 C9 C12 C13 178.1(5) . .
C11 C12 C13 C14 1.1(7) . .
C9 C12 C13 C14 178.7(5) . .
C12 C13 C14 C15 -0.7(8) . .
C13 C14 C15 C16 -0.5(7) . .
C14 C15 C16 C11 1.3(7) . .
C12 C11 C16 C15 -0.8(6) . .
C10 C11 C16 C15 179.0(4) . .
C18 N2 C17 C20 2.1(6) . .
Cd1 N2 C17 C20 -176.4(3) . .
C17 N2 C18 C19 -1.1(6) . .
Cd1 N2 C18 C19 177.5(3) . .
N2 C18 C19 C21 -2.4(7) . .
N2 C17 C20 C21 0.4(7) . .
C17 C20 C21 C19 -3.7(6) . .
C17 C20 C21 C21 176.9(5) . 3_665
C18 C19 C21 C20 4.6(6) . .
C18 C19 C21 C21 -176.0(5) . 3_665
