#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:24:46 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180337 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/06/7200601.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_7200601
loop_
_publ_author_name
'Zhao, Xia-Xia'
'Ma, Jian-Ping'
'Shen, Da-Zhong'
'Dong, Yu-Bin'
'Huang, Ru-Qi'
_publ_section_title
;
 Bird-like spiro-metallacyclic complexes based on a bent oxadiazole
 bridging ligand
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1281
_journal_paper_doi               10.1039/b818753n
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C40 H36 Cl2 Cu N16 O4'
_chemical_formula_weight         939.29
_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                106.243(7)
_cell_angle_beta                 101.104(7)
_cell_angle_gamma                106.755(7)
_cell_formula_units_Z            1
_cell_length_a                   8.816(4)
_cell_length_b                   11.435(5)
_cell_length_c                   11.563(5)
_cell_measurement_reflns_used    620
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.568
_cell_measurement_theta_min      2.463
_cell_volume                     1023.2(8)
_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      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5407
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.9241
_exptl_absorpt_correction_T_min  0.8330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             483
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.349
_refine_diff_density_min         -0.345
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         3734
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0574P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1261
_reflns_number_gt                2679
_reflns_number_total             3734
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b818753n.txt
_cod_data_source_block           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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7200601
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.5000 1.0000 0.5000 0.0439(2) Uani 1 2 d S . .
N1 N 0.1302(4) 0.3363(3) -0.1961(3) 0.0391(7) Uani 1 1 d . . .
N2 N 0.2563(4) 0.4111(3) -0.2324(3) 0.0413(8) Uani 1 1 d . . .
N3 N 0.2178(4) 0.6078(2) 0.3925(2) 0.0317(7) Uani 1 1 d . . .
N4 N 0.3963(4) 0.8024(3) 0.4428(3) 0.0352(7) Uani 1 1 d . . .
N5 N 0.5776(4) 0.9893(3) 0.3473(3) 0.0356(7) Uani 1 1 d . . .
N6 N 0.7076(4) 0.9679(2) 0.2064(2) 0.0319(7) Uani 1 1 d . . .
N7 N 0.5921(4) 1.0166(3) 0.1658(3) 0.0417(8) Uani 1 1 d . . .
N8 N 0.3666(4) 0.5965(3) 0.4222(3) 0.0488(8) Uani 1 1 d . . .
C1 C 0.5198(5) 1.0277(3) 0.2546(3) 0.0409(9) Uani 1 1 d . . .
H1 H 0.4343 1.0599 0.2533 0.049 Uiso 1 1 calc R . .
C2 C 0.6974(5) 0.9533(3) 0.3144(3) 0.0385(9) Uani 1 1 d . . .
H2 H 0.7646 0.9223 0.3604 0.046 Uiso 1 1 calc R . .
C3 C 0.8125(4) 0.9340(3) 0.1297(3) 0.0380(9) Uani 1 1 d . . .
H3A H 0.8896 0.9042 0.1742 0.046 Uiso 1 1 calc R . .
H3B H 0.8765 1.0112 0.1166 0.046 Uiso 1 1 calc R . .
C4 C 0.7114(4) 0.8288(3) 0.0041(3) 0.0305(8) Uani 1 1 d . . .
C5 C 0.7558(4) 0.8340(3) -0.1038(3) 0.0383(9) Uani 1 1 d . . .
H5 H 0.8443 0.9054 -0.0983 0.046 Uiso 1 1 calc R . .
C6 C 0.6707(5) 0.7351(3) -0.2185(3) 0.0410(9) Uani 1 1 d . . .
H6 H 0.7049 0.7392 -0.2890 0.049 Uiso 1 1 calc R . .
C7 C 0.5359(5) 0.6304(3) -0.2307(3) 0.0397(9) Uani 1 1 d . . .
H7 H 0.4777 0.5645 -0.3088 0.048 Uiso 1 1 calc R . .
C8 C 0.4881(4) 0.6247(3) -0.1234(3) 0.0304(8) Uani 1 1 d . . .
C9 C 0.5756(4) 0.7234(3) -0.0075(3) 0.0302(8) Uani 1 1 d . . .
H9 H 0.5428 0.7189 0.0634 0.036 Uiso 1 1 calc R . .
C10 C 0.3446(4) 0.5139(3) -0.1352(3) 0.0317(8) Uani 1 1 d . . .
C11 C 0.1535(4) 0.4007(3) -0.0787(3) 0.0306(8) Uani 1 1 d . . .
C12 C 0.0580(4) 0.3673(3) 0.0041(3) 0.0281(7) Uani 1 1 d . . .
C13 C -0.0844(4) 0.2549(3) -0.0451(3) 0.0364(8) Uani 1 1 d . . .
H13 H -0.1191 0.2033 -0.1302 0.044 Uiso 1 1 calc R . .
C14 C -0.1736(4) 0.2212(3) 0.0344(3) 0.0388(9) Uani 1 1 d . . .
H14 H -0.2682 0.1458 0.0027 0.047 Uiso 1 1 calc R . .
C15 C -0.1233(4) 0.2985(3) 0.1602(3) 0.0350(8) Uani 1 1 d . . .
H15 H -0.1846 0.2749 0.2126 0.042 Uiso 1 1 calc R . .
C16 C 0.0185(4) 0.4119(3) 0.2099(3) 0.0302(8) Uani 1 1 d . . .
C17 C 0.1075(4) 0.4453(3) 0.1306(3) 0.0292(8) Uani 1 1 d . . .
H17 H 0.2019 0.5209 0.1624 0.035 Uiso 1 1 calc R . .
C18 C 0.0659(4) 0.4929(3) 0.3482(3) 0.0368(9) Uani 1 1 d . . .
H18A H -0.0244 0.5211 0.3639 0.044 Uiso 1 1 calc R . .
H18B H 0.0794 0.4382 0.3972 0.044 Uiso 1 1 calc R . .
C19 C 0.4695(5) 0.7161(4) 0.4520(4) 0.0491(10) Uani 1 1 d . . .
H19 H 0.5842 0.7393 0.4774 0.059 Uiso 1 1 calc R . .
C20 C 0.2359(5) 0.7305(3) 0.4038(3) 0.0357(8) Uani 1 1 d . . .
H20 H 0.1500 0.7609 0.3870 0.043 Uiso 1 1 calc R . .
Cl1 Cl 0.80774(12) 0.98817(8) 0.62335(8) 0.0438(3) Uani 1 1 d . . .
O1 O 0.2880(3) 0.51454(19) -0.03366(19) 0.0299(5) Uani 1 1 d . . .
O2 O 0.0908(5) 0.2668(3) 0.4796(3) 0.0889(11) Uani 1 1 d D . .
H2A H 0.0656 0.1851 0.4401 0.050 Uiso 1 1 d RD . .
H2B H 0.1619 0.3005 0.5511 0.050 Uiso 1 1 d RD . .
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'
Cl Cl 0.1484 0.1585 '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'
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
N5 Cu1 N5 180.00 . 2_676 ?
N5 Cu1 N4 91.83(11) . . ?
N5 Cu1 N4 88.17(11) 2_676 . ?
N5 Cu1 N4 88.17(11) . 2_676 ?
N5 Cu1 N4 91.83(11) 2_676 2_676 ?
N4 Cu1 N4 180.00 . 2_676 ?
N5 Cu1 Cl1 88.06(10) . . ?
N5 Cu1 Cl1 91.94(10) 2_676 . ?
N4 Cu1 Cl1 89.13(9) . . ?
N4 Cu1 Cl1 90.87(9) 2_676 . ?
C11 N1 N2 106.3(3) . . ?
C10 N2 N1 106.8(3) . . ?
C20 N3 N8 110.5(3) . . ?
C20 N3 C18 129.1(3) . . ?
N8 N3 C18 120.3(3) . . ?
C20 N4 C19 103.5(3) . . ?
C20 N4 Cu1 126.8(2) . . ?
C19 N4 Cu1 129.1(3) . . ?
C2 N5 C1 103.1(3) . . ?
C2 N5 Cu1 131.7(3) . . ?
C1 N5 Cu1 125.1(2) . . ?
C2 N6 N7 109.6(3) . . ?
C2 N6 C3 129.9(3) . . ?
N7 N6 C3 120.5(3) . . ?
C1 N7 N6 102.2(3) . . ?
C19 N8 N3 102.6(3) . . ?
N7 C1 N5 115.1(3) . . ?
N7 C1 H1 122.4 . . ?
N5 C1 H1 122.4 . . ?
N6 C2 N5 109.9(3) . . ?
N6 C2 H2 125.0 . . ?
N5 C2 H2 125.0 . . ?
N6 C3 C4 111.5(3) . . ?
N6 C3 H3A 109.3 . . ?
C4 C3 H3A 109.3 . . ?
N6 C3 H3B 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C9 C4 C5 118.2(3) . . ?
C9 C4 C3 121.7(3) . . ?
C5 C4 C3 120.0(3) . . ?
C6 C5 C4 121.0(3) . . ?
C6 C5 H5 119.5 . . ?
C4 C5 H5 119.5 . . ?
C7 C6 C5 121.0(3) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C8 118.7(3) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 C10 120.6(3) . . ?
C7 C8 C10 119.2(3) . . ?
C8 C9 C4 120.9(3) . . ?
C8 C9 H9 119.6 . . ?
C4 C9 H9 119.6 . . ?
N2 C10 O1 111.9(3) . . ?
N2 C10 C8 128.9(3) . . ?
O1 C10 C8 119.2(3) . . ?
N1 C11 O1 111.5(3) . . ?
N1 C11 C12 128.9(3) . . ?
O1 C11 C12 119.6(3) . . ?
C17 C12 C13 120.2(3) . . ?
C17 C12 C11 120.8(3) . . ?
C13 C12 C11 118.9(3) . . ?
C14 C13 C12 119.0(3) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
C15 C14 C13 120.5(3) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 120.7(3) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 118.7(3) . . ?
C17 C16 C18 123.2(3) . . ?
C15 C16 C18 118.1(3) . . ?
C16 C17 C12 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C12 C17 H17 119.6 . . ?
N3 C18 C16 114.3(3) . . ?
N3 C18 H18A 108.7 . . ?
C16 C18 H18A 108.7 . . ?
N3 C18 H18B 108.7 . . ?
C16 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
N8 C19 N4 114.6(4) . . ?
N8 C19 H19 122.7 . . ?
N4 C19 H19 122.7 . . ?
N4 C20 N3 108.9(3) . . ?
N4 C20 H20 125.6 . . ?
N3 C20 H20 125.6 . . ?
C10 O1 C11 103.5(2) . . ?
H2A O2 H2B 117.1 . . ?
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
Cu1 N5 1.998(3) . ?
Cu1 N5 1.998(3) 2_676 ?
Cu1 N4 2.030(3) . ?
Cu1 N4 2.030(3) 2_676 ?
Cu1 Cl1 2.8710(15) . ?
N1 C11 1.294(4) . ?
N1 N2 1.405(4) . ?
N2 C10 1.284(4) . ?
N3 C20 1.331(4) . ?
N3 N8 1.344(4) . ?
N3 C18 1.458(4) . ?
N4 C20 1.325(4) . ?
N4 C19 1.342(4) . ?
N5 C2 1.322(4) . ?
N5 C1 1.336(4) . ?
N6 C2 1.321(4) . ?
N6 N7 1.362(4) . ?
N6 C3 1.457(4) . ?
N7 C1 1.304(4) . ?
N8 C19 1.308(5) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C3 C4 1.502(5) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C9 1.385(4) . ?
C4 C5 1.389(4) . ?
C5 C6 1.375(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.374(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(4) . ?
C7 H7 0.9300 . ?
C8 C9 1.385(4) . ?
C8 C10 1.461(5) . ?
C9 H9 0.9300 . ?
C10 O1 1.360(4) . ?
C11 O1 1.366(4) . ?
C11 C12 1.449(5) . ?
C12 C17 1.388(4) . ?
C12 C13 1.392(4) . ?
C13 C14 1.384(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.395(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(4) . ?
C16 C18 1.511(4) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
O2 H2A 0.8562 . ?
O2 H2B 0.8415 . ?
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
C11 N1 N2 C10 -0.2(4) . . . . ?
N5 Cu1 N4 C20 -110.7(3) . . . . ?
N5 Cu1 N4 C20 69.3(3) 2_676 . . . ?
N4 Cu1 N4 C20 46(100) 2_676 . . . ?
Cl1 Cu1 N4 C20 161.2(3) . . . . ?
N5 Cu1 N4 C19 79.8(3) . . . . ?
N5 Cu1 N4 C19 -100.2(3) 2_676 . . . ?
N4 Cu1 N4 C19 -123(100) 2_676 . . . ?
Cl1 Cu1 N4 C19 -8.3(3) . . . . ?
N5 Cu1 N5 C2 -164(100) 2_676 . . . ?
N4 Cu1 N5 C2 -72.5(3) . . . . ?
N4 Cu1 N5 C2 107.5(3) 2_676 . . . ?
Cl1 Cu1 N5 C2 16.6(3) . . . . ?
N5 Cu1 N5 C1 21(100) 2_676 . . . ?
N4 Cu1 N5 C1 112.1(3) . . . . ?
N4 Cu1 N5 C1 -67.9(3) 2_676 . . . ?
Cl1 Cu1 N5 C1 -158.8(3) . . . . ?
C2 N6 N7 C1 0.0(4) . . . . ?
C3 N6 N7 C1 176.8(3) . . . . ?
C20 N3 N8 C19 0.7(4) . . . . ?
C18 N3 N8 C19 177.5(3) . . . . ?
N6 N7 C1 N5 -0.6(4) . . . . ?
C2 N5 C1 N7 1.0(4) . . . . ?
Cu1 N5 C1 N7 177.5(2) . . . . ?
N7 N6 C2 N5 0.6(4) . . . . ?
C3 N6 C2 N5 -175.8(3) . . . . ?
C1 N5 C2 N6 -0.9(4) . . . . ?
Cu1 N5 C2 N6 -177.1(2) . . . . ?
C2 N6 C3 C4 115.0(4) . . . . ?
N7 N6 C3 C4 -61.1(4) . . . . ?
N6 C3 C4 C9 -40.5(4) . . . . ?
N6 C3 C4 C5 141.2(3) . . . . ?
C9 C4 C5 C6 -2.1(5) . . . . ?
C3 C4 C5 C6 176.3(3) . . . . ?
C4 C5 C6 C7 2.1(5) . . . . ?
C5 C6 C7 C8 -1.1(5) . . . . ?
C6 C7 C8 C9 0.1(5) . . . . ?
C6 C7 C8 C10 179.8(3) . . . . ?
C7 C8 C9 C4 -0.1(5) . . . . ?
C10 C8 C9 C4 -179.8(3) . . . . ?
C5 C4 C9 C8 1.1(5) . . . . ?
C3 C4 C9 C8 -177.3(3) . . . . ?
N1 N2 C10 O1 0.3(4) . . . . ?
N1 N2 C10 C8 -178.2(3) . . . . ?
C9 C8 C10 N2 -175.4(3) . . . . ?
C7 C8 C10 N2 4.9(5) . . . . ?
C9 C8 C10 O1 6.2(5) . . . . ?
C7 C8 C10 O1 -173.6(3) . . . . ?
N2 N1 C11 O1 -0.1(4) . . . . ?
N2 N1 C11 C12 179.7(3) . . . . ?
N1 C11 C12 C17 176.1(3) . . . . ?
O1 C11 C12 C17 -4.2(5) . . . . ?
N1 C11 C12 C13 -3.5(5) . . . . ?
O1 C11 C12 C13 176.2(3) . . . . ?
C17 C12 C13 C14 -1.1(5) . . . . ?
C11 C12 C13 C14 178.5(3) . . . . ?
C12 C13 C14 C15 0.7(5) . . . . ?
C13 C14 C15 C16 -0.2(5) . . . . ?
C14 C15 C16 C17 0.1(5) . . . . ?
C14 C15 C16 C18 179.4(3) . . . . ?
C15 C16 C17 C12 -0.5(5) . . . . ?
C18 C16 C17 C12 -179.8(3) . . . . ?
C13 C12 C17 C16 1.0(5) . . . . ?
C11 C12 C17 C16 -178.6(3) . . . . ?
C20 N3 C18 C16 94.9(4) . . . . ?
N8 N3 C18 C16 -81.3(4) . . . . ?
C17 C16 C18 N3 -2.0(5) . . . . ?
C15 C16 C18 N3 178.6(3) . . . . ?
N3 N8 C19 N4 -0.2(4) . . . . ?
C20 N4 C19 N8 -0.4(4) . . . . ?
Cu1 N4 C19 N8 171.0(2) . . . . ?
C19 N4 C20 N3 0.8(4) . . . . ?
Cu1 N4 C20 N3 -170.9(2) . . . . ?
N8 N3 C20 N4 -0.9(4) . . . . ?
C18 N3 C20 N4 -177.4(3) . . . . ?
N2 C10 O1 C11 -0.4(4) . . . . ?
C8 C10 O1 C11 178.3(3) . . . . ?
N1 C11 O1 C10 0.3(4) . . . . ?
C12 C11 O1 C10 -179.5(3) . . . . ?
