#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:43:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179933 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/28/7022892.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_7022892
loop_
_publ_author_name
'Wang, Xiuli'
'Luan, Jian'
'Lin, Hongyan'
'Lu, Qilin'
'Xu, Chuang'
'Liu, Guocheng'
_publ_section_title
;
 Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on
 the assembly and properties of multifunctional Cu(II) metal-organic
 coordination polymers.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8375
_journal_page_last               8386
_journal_paper_doi               10.1039/c3dt50202c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C22 H24 Cu N4 O9'
_chemical_formula_weight         551.99
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.938(5)
_cell_angle_beta                 101.838(5)
_cell_angle_gamma                92.317(4)
_cell_formula_units_Z            2
_cell_length_a                   10.004(3)
_cell_length_b                   10.719(3)
_cell_length_c                   11.754(3)
_cell_measurement_reflns_used    2580
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.15
_cell_measurement_theta_min      2.13
_cell_volume                     1173.3(6)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT+ (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0165
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6230
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    0.992
_exptl_absorpt_correction_T_max  0.870
_exptl_absorpt_correction_T_min  0.836
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4091
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0356
_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)+(0.0474P)²+0.6069P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0925
_reflns_number_gt                3465
_reflns_number_total             4091
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50202c.txt
_cod_data_source_block           lj-3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1173.2(6)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7022892
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Cu1 Cu 0.86523(3) 0.14352(3) 0.51345(3) 0.02314(12) Uani 1 1 d .
O1 O 0.75960(18) 0.36566(19) 0.5749(2) 0.0376(5) Uani 1 1 d .
C1 C 0.6619(2) 0.2850(3) 0.5655(2) 0.0244(6) Uani 1 1 d .
O1W O 0.3947(2) -0.0425(2) 0.2898(2) 0.0531(6) Uani 1 1 d .
H1WA H 0.4542 0.0223 0.3294 0.064 Uiso 1 1 d R
H1WB H 0.3634 -0.0699 0.3413 0.064 Uiso 1 1 d R
O2 O 0.67216(17) 0.16233(18) 0.53986(17) 0.0286(4) Uani 1 1 d .
N1 N 0.9444(2) 0.1801(2) 0.6953(2) 0.0251(5) Uani 1 1 d .
C2 C 0.5252(2) 0.3306(2) 0.5836(2) 0.0233(6) Uani 1 1 d .
O2W O 0.8717(3) 0.6109(3) 0.7324(3) 0.0771(9) Uani 1 1 d .
H2WA H 0.8359 0.5357 0.6843 0.093 Uiso 1 1 d R
H2WB H 0.9568 0.6165 0.7334 0.093 Uiso 1 1 d R
O3 O 0.03962(17) 0.22925(18) 0.50588(17) 0.0288(4) Uani 1 1 d .
N2 N 1.2377(3) 0.5009(3) 1.0376(2) 0.0451(7) Uani 1 1 d .
H3B H 1.2606 0.4386 1.0677 0.054 Uiso 1 1 calc R
C3 C 0.4087(2) 0.2416(2) 0.5511(2) 0.0225(5) Uani 1 1 d .
H3A H 0.4165 0.1522 0.5230 0.027 Uiso 1 1 calc R
O3W O 0.7437(4) -0.1582(3) -0.2119(3) 0.0829(10) Uani 1 1 d .
H3WA H 0.6893 -0.2279 -0.2436 0.099 Uiso 1 1 d R
H3WB H 0.7953 -0.1551 -0.2607 0.099 Uiso 1 1 d R
O4 O 1.1056(2) 0.5602(2) 0.8895(2) 0.0491(6) Uani 1 1 d .
N3 N 0.7944(2) 0.1077(2) 0.3313(2) 0.0271(5) Uani 1 1 d .
C4 C 0.2803(2) 0.2840(2) 0.5599(2) 0.0217(5) Uani 1 1 d .
O5 O 0.6197(2) -0.2271(2) -0.0358(2) 0.0488(6) Uani 1 1 d .
N4 N 0.4983(2) -0.2116(2) 0.1076(2) 0.0363(6) Uani 1 1 d .
H5A H 0.4793 -0.1639 0.1738 0.044 Uiso 1 1 calc R
C5 C 0.1554(3) 0.1850(2) 0.5219(2) 0.0222(6) Uani 1 1 d .
O6 O 0.17299(19) 0.06883(18) 0.50976(19) 0.0364(5) Uani 1 1 d .
C6 C 0.2706(3) 0.4175(3) 0.6057(3) 0.0309(6) Uani 1 1 d .
H6A H 0.1854 0.4472 0.6113 0.037 Uiso 1 1 calc R
C7 C 0.3870(3) 0.5067(3) 0.6430(3) 0.0379(7) Uani 1 1 d .
H7A H 0.3802 0.5955 0.6768 0.045 Uiso 1 1 calc R
C8 C 0.5133(3) 0.4641(3) 0.6302(3) 0.0328(7) Uani 1 1 d .
H8A H 0.5906 0.5247 0.6527 0.039 Uiso 1 1 calc R
C9 C 1.0093(3) 0.2997(3) 0.7574(2) 0.0260(6) Uani 1 1 d .
H9A H 1.0126 0.3609 0.7157 0.031 Uiso 1 1 calc R
C10 C 1.0718(3) 0.3371(3) 0.8803(2) 0.0255(6) Uani 1 1 d .
C11 C 1.1404(3) 0.4748(3) 0.9366(3) 0.0284(6) Uani 1 1 d .
C12 C 1.3075(3) 0.6334(3) 1.0995(3) 0.0438(8) Uani 1 1 d .
H12A H 1.3397 0.6444 1.1859 0.053 Uiso 1 1 calc R
H12B H 1.2429 0.6970 1.0912 0.053 Uiso 1 1 calc R
C13 C 1.0641(3) 0.2463(3) 0.9434(3) 0.0309(6) Uani 1 1 d .
H13A H 1.1044 0.2676 1.0262 0.037 Uiso 1 1 calc R
C14 C 0.9952(3) 0.1238(3) 0.8796(3) 0.0340(7) Uani 1 1 d .
H14A H 0.9872 0.0618 0.9198 0.041 Uiso 1 1 calc R
C15 C 0.9383(3) 0.0933(3) 0.7568(3) 0.0298(6) Uani 1 1 d .
H15A H 0.8940 0.0096 0.7149 0.036 Uiso 1 1 calc R
C16 C 0.7114(3) -0.0008(3) 0.2632(2) 0.0270(6) Uani 1 1 d .
H16A H 0.6789 -0.0558 0.3022 0.032 Uiso 1 1 calc R
C17 C 0.6716(3) -0.0348(3) 0.1371(3) 0.0294(6) Uani 1 1 d .
C18 C 0.5929(3) -0.1649(3) 0.0623(3) 0.0318(6) Uani 1 1 d .
C19 C 0.4263(3) -0.3419(3) 0.0475(4) 0.0551(10) Uani 1 1 d .
H19A H 0.4900 -0.4065 0.0552 0.066 Uiso 1 1 calc R
H19B H 0.3936 -0.3528 -0.0388 0.066 Uiso 1 1 calc R
C20 C 0.7158(3) 0.0504(3) 0.0800(3) 0.0386(7) Uani 1 1 d .
H20A H 0.6911 0.0307 -0.0045 0.046 Uiso 1 1 calc R
C21 C 0.7970(3) 0.1645(3) 0.1507(3) 0.0443(8) Uani 1 1 d .
H21A H 0.8252 0.2242 0.1145 0.053 Uiso 1 1 calc R
C22 C 0.8360(3) 0.1898(3) 0.2749(3) 0.0347(7) Uani 1 1 d .
H22A H 0.8929 0.2661 0.3215 0.042 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'
Cu Cu 0.3201 1.2651 '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
O3 Cu1 N3 90.41(8) 1_655 .
O3 Cu1 O2 147.83(8) 1_655 .
N3 Cu1 O2 90.57(8) . .
O3 Cu1 N1 87.39(8) 1_655 .
N3 Cu1 N1 177.63(8) . .
O2 Cu1 N1 91.77(8) . .
O3 Cu1 O6 124.17(7) 1_655 2_656
N3 Cu1 O6 90.00(8) . 2_656
O2 Cu1 O6 87.98(7) . 2_656
N1 Cu1 O6 90.51(8) . 2_656
O1 C1 O2 122.3(2) . .
O1 C1 C2 120.2(2) . .
O2 C1 C2 117.5(2) . .
H1WA O1W H1WB 107.8 . .
C1 O2 Cu1 104.56(15) . .
C9 N1 C15 117.8(2) . .
C9 N1 Cu1 117.15(18) . .
C15 N1 Cu1 125.08(18) . .
C3 C2 C8 119.0(2) . .
C3 C2 C1 120.9(2) . .
C8 C2 C1 120.1(2) . .
H2WA O2W H2WB 107.7 . .
C5 O3 Cu1 125.45(17) . 1_455
C11 N2 C12 121.5(3) . .
C11 N2 H3B 119.2 . .
C12 N2 H3B 119.2 . .
C2 C3 C4 121.1(2) . .
C2 C3 H3A 119.5 . .
C4 C3 H3A 119.5 . .
H3WA O3W H3WB 107.9 . .
C16 N3 C22 118.3(2) . .
C16 N3 Cu1 121.23(18) . .
C22 N3 Cu1 120.38(18) . .
C6 C4 C3 118.9(2) . .
C6 C4 C5 121.3(2) . .
C3 C4 C5 119.8(2) . .
C18 N4 C19 121.1(3) . .
C18 N4 H5A 119.5 . .
C19 N4 H5A 119.5 . .
O6 C5 O3 125.3(2) . .
O6 C5 C4 118.3(2) . .
O3 C5 C4 116.4(2) . .
C5 O6 Cu1 161.98(18) . 2_656
C7 C6 C4 120.4(2) . .
C7 C6 H6A 119.8 . .
C4 C6 H6A 119.8 . .
C8 C7 C6 120.3(3) . .
C8 C7 H7A 119.9 . .
C6 C7 H7A 119.9 . .
C7 C8 C2 120.2(2) . .
C7 C8 H8A 119.9 . .
C2 C8 H8A 119.9 . .
N1 C9 C10 123.6(2) . .
N1 C9 H9A 118.2 . .
C10 C9 H9A 118.2 . .
C9 C10 C13 118.1(2) . .
C9 C10 C11 117.0(2) . .
C13 C10 C11 124.8(2) . .
O4 C11 N2 121.5(3) . .
O4 C11 C10 120.2(2) . .
N2 C11 C10 118.2(3) . .
N2 C12 C19 111.3(3) . 1_666
N2 C12 H12A 109.4 . .
C19 C12 H12A 109.4 1_666 .
N2 C12 H12B 109.4 . .
C19 C12 H12B 109.4 1_666 .
H12A C12 H12B 108.0 . .
C14 C13 C10 118.2(3) . .
C14 C13 H13A 120.9 . .
C10 C13 H13A 120.9 . .
C15 C14 C13 120.1(3) . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
N1 C15 C14 122.2(2) . .
N1 C15 H15A 118.9 . .
C14 C15 H15A 118.9 . .
N3 C16 C17 122.8(2) . .
N3 C16 H16A 118.6 . .
C17 C16 H16A 118.6 . .
C16 C17 C20 118.3(2) . .
C16 C17 C18 121.4(2) . .
C20 C17 C18 120.1(3) . .
O5 C18 N4 122.1(3) . .
O5 C18 C17 120.7(3) . .
N4 C18 C17 117.2(2) . .
N4 C19 C12 112.6(3) . 1_444
N4 C19 H19A 109.1 . .
C12 C19 H19A 109.1 1_444 .
N4 C19 H19B 109.1 . .
C12 C19 H19B 109.1 1_444 .
H19A C19 H19B 107.8 . .
C21 C20 C17 118.8(3) . .
C21 C20 H20A 120.6 . .
C17 C20 H20A 120.6 . .
C22 C21 C20 119.8(3) . .
C22 C21 H21A 120.1 . .
C20 C21 H21A 120.1 . .
N3 C22 C21 122.0(3) . .
N3 C22 H22A 119.0 . .
C21 C22 H22A 119.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O3 1.9691(17) 1_655
Cu1 N3 2.027(2) .
Cu1 O2 2.0270(18) .
Cu1 N1 2.035(2) .
Cu1 O6 2.219(2) 2_656
O1 C1 1.243(3) .
C1 O2 1.274(3) .
C1 C2 1.506(3) .
O1W H1WA 0.8477 .
O1W H1WB 0.8514 .
N1 C9 1.338(3) .
N1 C15 1.341(4) .
C2 C3 1.389(3) .
C2 C8 1.395(4) .
O2W H2WA 0.8520 .
O2W H2WB 0.8480 .
O3 C5 1.268(3) .
O3 Cu1 1.9691(17) 1_455
N2 C11 1.321(4) .
N2 C12 1.464(4) .
N2 H3B 0.8600 .
C3 C4 1.393(3) .
C3 H3A 0.9300 .
O3W H3WA 0.8457 .
O3W H3WB 0.8517 .
O4 C11 1.229(3) .
N3 C16 1.338(3) .
N3 C22 1.346(4) .
C4 C6 1.390(4) .
C4 C5 1.509(3) .
O5 C18 1.241(3) .
N4 C18 1.325(4) .
N4 C19 1.450(4) .
N4 H5A 0.8600 .
C5 O6 1.235(3) .
O6 Cu1 2.219(2) 2_656
C6 C7 1.384(4) .
C6 H6A 0.9300 .
C7 C8 1.383(4) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.382(4) .
C9 H9A 0.9300 .
C10 C13 1.394(4) .
C10 C11 1.499(4) .
C12 C19 1.492(5) 1_666
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.379(4) .
C13 H13A 0.9300 .
C14 C15 1.374(4) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 C17 1.386(4) .
C16 H16A 0.9300 .
C17 C20 1.387(4) .
C17 C18 1.500(4) .
C19 C12 1.492(5) 1_444
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C21 1.377(4) .
C20 H20A 0.9300 .
C21 C22 1.372(4) .
C21 H21A 0.9300 .
C22 H22A 0.9300 .
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
O1 C1 O2 Cu1 -2.9(3) . .
C2 C1 O2 Cu1 176.69(18) . .
O3 Cu1 O2 C1 -2.5(2) 1_655 .
N3 Cu1 O2 C1 -94.19(17) . .
N1 Cu1 O2 C1 85.39(17) . .
O6 Cu1 O2 C1 175.83(17) 2_656 .
O3 Cu1 N1 C9 44.71(19) 1_655 .
N3 Cu1 N1 C9 67(2) . .
O2 Cu1 N1 C9 -103.11(19) . .
O6 Cu1 N1 C9 168.89(19) 2_656 .
O3 Cu1 N1 C15 -134.2(2) 1_655 .
N3 Cu1 N1 C15 -112(2) . .
O2 Cu1 N1 C15 78.0(2) . .
O6 Cu1 N1 C15 -10.0(2) 2_656 .
O1 C1 C2 C3 167.6(3) . .
O2 C1 C2 C3 -11.9(4) . .
O1 C1 C2 C8 -10.4(4) . .
O2 C1 C2 C8 170.0(2) . .
C8 C2 C3 C4 2.5(4) . .
C1 C2 C3 C4 -175.6(2) . .
O3 Cu1 N3 C16 146.1(2) 1_655 .
O2 Cu1 N3 C16 -66.1(2) . .
N1 Cu1 N3 C16 124(2) . .
O6 Cu1 N3 C16 21.9(2) 2_656 .
O3 Cu1 N3 C22 -30.5(2) 1_655 .
O2 Cu1 N3 C22 117.4(2) . .
N1 Cu1 N3 C22 -52(2) . .
O6 Cu1 N3 C22 -154.6(2) 2_656 .
C2 C3 C4 C6 -2.0(4) . .
C2 C3 C4 C5 179.0(2) . .
Cu1 O3 C5 O6 22.2(4) 1_455 .
Cu1 O3 C5 C4 -157.30(17) 1_455 .
C6 C4 C5 O6 -163.1(3) . .
C3 C4 C5 O6 15.8(4) . .
C6 C4 C5 O3 16.4(4) . .
C3 C4 C5 O3 -164.6(2) . .
O3 C5 O6 Cu1 -12.2(8) . 2_656
C4 C5 O6 Cu1 167.3(5) . 2_656
C3 C4 C6 C7 -0.7(4) . .
C5 C4 C6 C7 178.3(3) . .
C4 C6 C7 C8 2.8(5) . .
C6 C7 C8 C2 -2.3(5) . .
C3 C2 C8 C7 -0.3(4) . .
C1 C2 C8 C7 177.8(3) . .
C15 N1 C9 C10 1.1(4) . .
Cu1 N1 C9 C10 -177.9(2) . .
N1 C9 C10 C13 -1.4(4) . .
N1 C9 C10 C11 180.0(2) . .
C12 N2 C11 O4 1.0(5) . .
C12 N2 C11 C10 -178.6(3) . .
C9 C10 C11 O4 23.0(4) . .
C13 C10 C11 O4 -155.5(3) . .
C9 C10 C11 N2 -157.4(3) . .
C13 C10 C11 N2 24.1(4) . .
C11 N2 C12 C19 -86.3(4) . 1_666
C9 C10 C13 C14 0.3(4) . .
C11 C10 C13 C14 178.8(3) . .
C10 C13 C14 C15 1.1(4) . .
C9 N1 C15 C14 0.4(4) . .
Cu1 N1 C15 C14 179.3(2) . .
C13 C14 C15 N1 -1.5(4) . .
C22 N3 C16 C17 3.0(4) . .
Cu1 N3 C16 C17 -173.6(2) . .
N3 C16 C17 C20 -2.6(4) . .
N3 C16 C17 C18 172.3(2) . .
C19 N4 C18 O5 3.5(5) . .
C19 N4 C18 C17 -174.1(3) . .
C16 C17 C18 O5 -139.4(3) . .
C20 C17 C18 O5 35.4(4) . .
C16 C17 C18 N4 38.2(4) . .
C20 C17 C18 N4 -147.0(3) . .
C18 N4 C19 C12 -169.6(3) . 1_444
C16 C17 C20 C21 0.0(4) . .
C18 C17 C20 C21 -175.0(3) . .
C17 C20 C21 C22 2.1(5) . .
C16 N3 C22 C21 -0.7(4) . .
Cu1 N3 C22 C21 175.9(2) . .
C20 C21 C22 N3 -1.8(5) . .
