#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:13:50 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179682 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/04/7000430.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_7000430
loop_
_publ_author_name
'Johnson, Andrew L.'
'Willcocks, Alexander M.'
'Raithby, Paul R.'
'Warren, Mark R.'
'Kingsley, Andrew J.'
'Odedra, Raj'
_publ_section_title
;
 Unprecedented double migratory insertion of phenyl isocyanide into
 cyclopentadienyl C--H bonds
;
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              922
_journal_page_last               924
_journal_paper_doi               10.1039/b822337h
_journal_year                    2009
_chemical_formula_moiety         'C33 H25 Cu N4'
_chemical_formula_sum            'C33 H25 Cu N4'
_chemical_formula_weight         541.11
_chemical_name_common
;Copper(i),(n'n-diphenyl-6-aminofulvene-2-aldimine)bis(phenyl
isocyanide)
;
_chemical_name_systematic
;
Copper(I),(n'n-diphenyl-6-aminofulvene-2-aldimine)bis(phenyl isocyanide)
;
_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                106.474(1)
_cell_angle_beta                 97.129(2)
_cell_angle_gamma                112.271(2)
_cell_formula_units_Z            2
_cell_length_a                   9.9170(3)
_cell_length_b                   10.8650(4)
_cell_length_c                   14.5300(6)
_cell_measurement_reflns_used    23329
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      3.84
_cell_volume                     1341.18(9)
_computing_cell_refinement       'hkl scalepack (otwinowski & minor 1997)'
_computing_data_collection
'collect, nonius program suite version 1.9 (1997)'
_computing_data_reduction
'denzo and scalepack (otwinowski & minor, 1997)'
_computing_molecular_graphics
'ortep3 for windows - l. j. farrugia, j. appl. crystallogr. 1997, 30, 565'
_computing_publication_material  'shelxtl (sheldrick, 1997)'
_computing_structure_refinement  'shelxl-97 (sheldrick, 1997)'
_computing_structure_solution    'shelxs-97 (sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'nonius kappa ccd'
_diffrn_measurement_method       '6046 images with φ and ω scans'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14539
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.53
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.843
_exptl_absorpt_correction_T_max  0.98
_exptl_absorpt_correction_T_min  0.916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sortav (blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.336
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6046
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0393
_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)+(0.0114P)²+0.8305P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0948
_reflns_number_gt                4863
_reflns_number_total             6046
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822337h.txt
_cod_data_source_block           k08alj06
_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_cell_volume        1341.18(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000430
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 0.79154(3) 0.95326(3) 0.28028(2) 0.02705(9) Uani 1 1 d . . .
N1 N 0.7781(2) 1.1810(2) 0.45596(15) 0.0325(4) Uani 1 1 d . . .
N2 N 0.91435(19) 0.85428(17) 0.32023(13) 0.0255(4) Uani 1 1 d . . .
N3 N 0.90018(18) 1.05548(17) 0.19337(13) 0.0246(4) Uani 1 1 d . . .
N4 N 0.4982(2) 0.68384(19) 0.16172(15) 0.0329(4) Uani 1 1 d . . .
C1 C 0.7870(2) 1.0930(2) 0.39262(18) 0.0323(5) Uani 1 1 d . . .
C2 C 0.7724(3) 1.2891(2) 0.53364(17) 0.0294(5) Uani 1 1 d . . .
C3 C 0.9046(3) 1.4128(2) 0.5838(2) 0.0387(5) Uani 1 1 d . . .
H3 H 0.9963 1.4247 0.5657 0.046 Uiso 1 1 calc R . .
C4 C 0.8985(3) 1.5183(3) 0.6612(2) 0.0506(7) Uani 1 1 d . . .
H4 H 0.9871 1.6041 0.6968 0.061 Uiso 1 1 calc R . .
C5 C 0.7649(4) 1.4998(3) 0.6867(2) 0.0504(7) Uani 1 1 d . . .
H5 H 0.7625 1.5730 0.7400 0.061 Uiso 1 1 calc R . .
C6 C 0.6345(3) 1.3765(3) 0.6358(2) 0.0408(6) Uani 1 1 d . . .
H6 H 0.5430 1.3650 0.6541 0.049 Uiso 1 1 calc R . .
C7 C 0.6372(3) 1.2694(2) 0.55803(18) 0.0330(5) Uani 1 1 d . . .
H7 H 0.5481 1.1841 0.5222 0.040 Uiso 1 1 calc R . .
C8 C 1.0510(2) 0.8740(2) 0.31847(16) 0.0273(4) Uani 1 1 d . . .
H8 H 1.0825 0.8106 0.3379 0.033 Uiso 1 1 calc R . .
C9 C 1.1608(2) 0.9775(2) 0.29147(16) 0.0267(4) Uani 1 1 d . . .
C10 C 1.3132(2) 1.0010(2) 0.31753(18) 0.0335(5) Uani 1 1 d . . .
H10 H 1.3484 0.9483 0.3479 0.040 Uiso 1 1 calc R . .
C11 C 1.4037(2) 1.1130(3) 0.29196(18) 0.0351(5) Uani 1 1 d . . .
H11 H 1.5103 1.1512 0.3035 0.042 Uiso 1 1 calc R . .
C12 C 1.3105(2) 1.1588(2) 0.24671(17) 0.0295(5) Uani 1 1 d . . .
H12 H 1.3434 1.2330 0.2207 0.035 Uiso 1 1 calc R . .
C13 C 1.1584(2) 1.0784(2) 0.24504(16) 0.0245(4) Uani 1 1 d . . .
C14 C 1.0441(2) 1.1042(2) 0.19719(15) 0.0238(4) Uani 1 1 d . . .
H14 H 1.0772 1.1671 0.1622 0.029 Uiso 1 1 calc R . .
C15 C 0.8145(2) 1.0937(2) 0.12967(16) 0.0249(4) Uani 1 1 d . . .
C16 C 0.8271(2) 1.0807(2) 0.03378(17) 0.0292(5) Uani 1 1 d . . .
H16 H 0.8955 1.0462 0.0094 0.035 Uiso 1 1 calc R . .
C17 C 0.7417(3) 1.1169(2) -0.02746(18) 0.0337(5) Uani 1 1 d . . .
H17 H 0.7525 1.1084 -0.0927 0.040 Uiso 1 1 calc R . .
C18 C 0.6405(3) 1.1655(2) 0.00746(18) 0.0365(5) Uani 1 1 d . . .
H18 H 0.5815 1.1905 -0.0339 0.044 Uiso 1 1 calc R . .
C19 C 0.6255(3) 1.1776(3) 0.10222(19) 0.0399(6) Uani 1 1 d . . .
H19 H 0.5558 1.2107 0.1258 0.048 Uiso 1 1 calc R . .
C20 C 0.7111(2) 1.1419(2) 0.16342(18) 0.0348(5) Uani 1 1 d . . .
H20 H 0.6995 1.1502 0.2285 0.042 Uiso 1 1 calc R . .
C21 C 0.8336(2) 0.7453(2) 0.35668(17) 0.0266(4) Uani 1 1 d . . .
C22 C 0.7729(2) 0.6020(2) 0.29716(18) 0.0322(5) Uani 1 1 d . . .
H22 H 0.7856 0.5742 0.2319 0.039 Uiso 1 1 calc R . .
C23 C 0.6932(3) 0.4996(2) 0.3346(2) 0.0365(5) Uani 1 1 d . . .
H23 H 0.6507 0.4015 0.2941 0.044 Uiso 1 1 calc R . .
C24 C 0.6749(3) 0.5379(3) 0.4290(2) 0.0374(5) Uani 1 1 d . . .
H24 H 0.6207 0.4668 0.4536 0.045 Uiso 1 1 calc R . .
C25 C 0.7357(3) 0.6805(3) 0.4883(2) 0.0400(6) Uani 1 1 d . . .
H25 H 0.7240 0.7075 0.5539 0.048 Uiso 1 1 calc R . .
C26 C 0.8139(3) 0.7842(2) 0.45185(18) 0.0355(5) Uani 1 1 d . . .
H26 H 0.8541 0.8821 0.4922 0.043 Uiso 1 1 calc R . .
C31 C 0.6032(2) 0.7921(2) 0.20523(18) 0.0306(5) Uani 1 1 d . . .
C32 C 0.3816(2) 0.5487(2) 0.10279(18) 0.0320(5) Uani 1 1 d . . .
C33 C 0.4141(3) 0.4327(2) 0.07928(19) 0.0370(5) Uani 1 1 d . . .
H33 H 0.5119 0.4428 0.1056 0.044 Uiso 1 1 calc R . .
C34 C 0.3015(3) 0.3010(2) 0.0165(2) 0.0401(6) Uani 1 1 d . . .
H34 H 0.3221 0.2200 0.0000 0.048 Uiso 1 1 calc R . .
C35 C 0.1615(3) 0.2869(3) -0.0219(2) 0.0485(7) Uani 1 1 d . . .
H35 H 0.0858 0.1970 -0.0666 0.058 Uiso 1 1 calc R . .
C36 C 0.1303(3) 0.4031(3) 0.0043(3) 0.0802(13) Uani 1 1 d . . .
H36 H 0.0319 0.3924 -0.0212 0.096 Uiso 1 1 calc R . .
C37 C 0.2406(3) 0.5357(3) 0.0677(3) 0.0655(10) Uani 1 1 d . . .
H37 H 0.2186 0.6157 0.0864 0.079 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'
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
C1 Cu1 C31 116.95(10) . . ?
C1 Cu1 N2 112.01(8) . . ?
C31 Cu1 N2 100.67(8) . . ?
C1 Cu1 N3 108.15(8) . . ?
C31 Cu1 N3 112.54(8) . . ?
N2 Cu1 N3 105.87(7) . . ?
C1 N1 C2 178.2(2) . . ?
C8 N2 C21 115.86(18) . . ?
C8 N2 Cu1 130.80(15) . . ?
C21 N2 Cu1 113.34(13) . . ?
C14 N3 C15 115.20(18) . . ?
C14 N3 Cu1 127.28(15) . . ?
C15 N3 Cu1 117.05(13) . . ?
C31 N4 C32 173.6(2) . . ?
N1 C1 Cu1 174.7(2) . . ?
C7 C2 C3 122.2(2) . . ?
C7 C2 N1 119.5(2) . . ?
C3 C2 N1 118.2(2) . . ?
C4 C3 C2 117.9(2) . . ?
C4 C3 H3 121.1 . . ?
C2 C3 H3 121.1 . . ?
C5 C4 C3 120.5(2) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.8(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 119.9(2) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C2 C7 C6 118.6(2) . . ?
C2 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
N2 C8 C9 129.03(19) . . ?
N2 C8 H8 115.5 . . ?
C9 C8 H8 115.5 . . ?
C10 C9 C8 118.59(19) . . ?
C10 C9 C13 106.38(18) . . ?
C8 C9 C13 134.93(19) . . ?
C11 C10 C9 109.8(2) . . ?
C11 C10 H10 125.1 . . ?
C9 C10 H10 125.1 . . ?
C12 C11 C10 107.75(19) . . ?
C12 C11 H11 126.1 . . ?
C10 C11 H11 126.1 . . ?
C11 C12 C13 109.8(2) . . ?
C11 C12 H12 125.1 . . ?
C13 C12 H12 125.1 . . ?
C14 C13 C12 118.62(19) . . ?
C14 C13 C9 135.05(18) . . ?
C12 C13 C9 106.19(18) . . ?
N3 C14 C13 130.5(2) . . ?
N3 C14 H14 114.8 . . ?
C13 C14 H14 114.8 . . ?
C16 C15 C20 118.5(2) . . ?
C16 C15 N3 122.16(19) . . ?
C20 C15 N3 119.3(2) . . ?
C15 C16 C17 121.3(2) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C18 C17 C16 119.4(2) . . ?
C18 C17 H17 120.3 . . ?
C16 C17 H17 120.3 . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.6(2) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 C15 120.2(2) . . ?
C19 C20 H20 119.9 . . ?
C15 C20 H20 119.9 . . ?
C26 C21 C22 119.8(2) . . ?
C26 C21 N2 119.44(18) . . ?
C22 C21 N2 120.8(2) . . ?
C21 C22 C23 119.0(2) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
C24 C23 C22 121.2(2) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C25 119.7(2) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C24 C25 C26 119.9(2) . . ?
C24 C25 H25 120.1 . . ?
C26 C25 H25 120.1 . . ?
C25 C26 C21 120.3(2) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
N4 C31 Cu1 171.24(19) . . ?
C37 C32 C33 121.5(2) . . ?
C37 C32 N4 119.7(2) . . ?
C33 C32 N4 118.8(2) . . ?
C32 C33 C34 118.8(2) . . ?
C32 C33 H33 120.6 . . ?
C34 C33 H33 120.6 . . ?
C35 C34 C33 120.5(2) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 119.8(2) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C37 120.8(3) . . ?
C35 C36 H36 119.6 . . ?
C37 C36 H36 119.6 . . ?
C32 C37 C36 118.6(3) . . ?
C32 C37 H37 120.7 . . ?
C36 C37 H37 120.7 . . ?
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 C1 1.907(2) . ?
Cu1 C31 1.917(2) . ?
Cu1 N2 2.0367(18) . ?
Cu1 N3 2.0530(18) . ?
N1 C1 1.164(3) . ?
N1 C2 1.403(3) . ?
N2 C8 1.294(3) . ?
N2 C21 1.437(3) . ?
N3 C14 1.308(3) . ?
N3 C15 1.429(3) . ?
N4 C31 1.164(3) . ?
N4 C32 1.407(3) . ?
C2 C7 1.383(3) . ?
C2 C3 1.388(3) . ?
C3 C4 1.386(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.379(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.426(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.415(3) . ?
C9 C13 1.447(3) . ?
C10 C11 1.392(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.421(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.416(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(3) . ?
C15 C20 1.397(3) . ?
C16 C17 1.389(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(3) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C26 1.388(3) . ?
C21 C22 1.390(3) . ?
C22 C23 1.394(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.389(3) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C32 C37 1.366(3) . ?
C32 C33 1.379(3) . ?
C33 C34 1.386(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.364(4) . ?
C34 H34 0.9500 . ?
C35 C36 1.374(4) . ?
C35 H35 0.9500 . ?
C36 C37 1.387(4) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
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
C31 Cu1 N2 C8 134.6(2) . . . . ?
N3 Cu1 N2 C8 17.3(2) . . . . ?
C31 Cu1 N2 C21 -45.76(16) . . . . ?
N3 Cu1 N2 C21 -163.09(14) . . . . ?
C1 Cu1 N3 C14 92.09(18) . . . . ?
C31 Cu1 N3 C14 -137.17(17) . . . . ?
N2 Cu1 N3 C14 -28.12(18) . . . . ?
C1 Cu1 N3 C15 -79.67(15) . . . . ?
C31 Cu1 N3 C15 51.07(16) . . . . ?
N2 Cu1 N3 C15 160.12(13) . . . . ?
C7 C2 C3 C4 0.4(4) . . . . ?
N1 C2 C3 C4 -179.3(2) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C3 C4 C5 C6 -0.2(5) . . . . ?
C4 C5 C6 C7 0.0(4) . . . . ?
C3 C2 C7 C6 -0.6(4) . . . . ?
N1 C2 C7 C6 179.1(2) . . . . ?
C5 C6 C7 C2 0.4(4) . . . . ?
C21 N2 C8 C9 -176.5(2) . . . . ?
Cu1 N2 C8 C9 3.1(3) . . . . ?
N2 C8 C9 C10 165.1(2) . . . . ?
N2 C8 C9 C13 -10.7(4) . . . . ?
C8 C9 C10 C11 -175.3(2) . . . . ?
C13 C9 C10 C11 1.6(3) . . . . ?
C9 C10 C11 C12 -1.9(3) . . . . ?
C10 C11 C12 C13 1.5(3) . . . . ?
C11 C12 C13 C14 -176.88(19) . . . . ?
C11 C12 C13 C9 -0.5(3) . . . . ?
C10 C9 C13 C14 174.8(2) . . . . ?
C8 C9 C13 C14 -9.0(4) . . . . ?
C10 C9 C13 C12 -0.7(2) . . . . ?
C8 C9 C13 C12 175.5(2) . . . . ?
C15 N3 C14 C13 -174.2(2) . . . . ?
Cu1 N3 C14 C13 13.9(3) . . . . ?
C12 C13 C14 N3 -172.8(2) . . . . ?
C9 C13 C14 N3 12.1(4) . . . . ?
C14 N3 C15 C16 47.1(3) . . . . ?
Cu1 N3 C15 C16 -140.11(17) . . . . ?
C14 N3 C15 C20 -134.9(2) . . . . ?
Cu1 N3 C15 C20 37.9(2) . . . . ?
C20 C15 C16 C17 1.3(3) . . . . ?
N3 C15 C16 C17 179.29(19) . . . . ?
C15 C16 C17 C18 -0.8(3) . . . . ?
C16 C17 C18 C19 0.0(3) . . . . ?
C17 C18 C19 C20 0.2(4) . . . . ?
C18 C19 C20 C15 0.3(4) . . . . ?
C16 C15 C20 C19 -1.0(3) . . . . ?
N3 C15 C20 C19 -179.1(2) . . . . ?
C8 N2 C21 C26 104.0(2) . . . . ?
Cu1 N2 C21 C26 -75.7(2) . . . . ?
C8 N2 C21 C22 -77.2(3) . . . . ?
Cu1 N2 C21 C22 103.1(2) . . . . ?
C26 C21 C22 C23 -0.1(3) . . . . ?
N2 C21 C22 C23 -178.9(2) . . . . ?
C21 C22 C23 C24 -0.5(3) . . . . ?
C22 C23 C24 C25 0.3(4) . . . . ?
C23 C24 C25 C26 0.5(4) . . . . ?
C24 C25 C26 C21 -1.1(4) . . . . ?
C22 C21 C26 C25 0.9(4) . . . . ?
N2 C21 C26 C25 179.8(2) . . . . ?
C37 C32 C33 C34 1.7(4) . . . . ?
N4 C32 C33 C34 -176.3(2) . . . . ?
C32 C33 C34 C35 0.5(4) . . . . ?
C33 C34 C35 C36 -2.0(5) . . . . ?
C34 C35 C36 C37 1.5(6) . . . . ?
C33 C32 C37 C36 -2.3(5) . . . . ?
N4 C32 C37 C36 175.7(3) . . . . ?
C35 C36 C37 C32 0.7(6) . . . . ?
