#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/26/4312664.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_4312664
loop_
_publ_author_name
'Chizu Shimokawa'
'Seiji Yokota'
'Yoshimitsu Tachi'
'Nagatoshi Nishiwaki'
'Masahiro Ariga'
'Shinobu Itoh'
_publ_section_title
;
 Substituent Effects of β-Diketiminate Ligands on the Structure and
 Physicochemical Properties of Copper(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8395
_journal_page_last               8405
_journal_paper_doi               10.1021/ic0344766
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C30 H26 Cu N4 '
_chemical_formula_sum            'C30 H26 Cu N4'
_chemical_formula_weight         506.11
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.19(2)
_cell_length_b                   7.087(8)
_cell_length_c                   23.76(4)
_cell_measurement_reflns_used    11948
_cell_measurement_temperature    158.1
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.0
_cell_volume                     2389(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9955
_diffrn_measured_fraction_theta_max 0.9955
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.063
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            10668
_diffrn_reflns_theta_full        27.40
_diffrn_reflns_theta_max         27.40
_exptl_absorpt_coefficient_mu    0.941
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.846
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.32
_refine_ls_extinction_coef       -97.4(3)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     173
_refine_ls_number_reflns         1119
_refine_ls_R_factor_gt           0.0240
_refine_ls_shift/su_max          0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.003Fo² + 0.000σ²(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0480
_reflns_number_gt                955
_reflns_number_total             1388
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic0344766si20030507_070735_05.cif
_cod_data_source_block           '_[Cu(II)HHLPh]'
_cod_original_cell_volume        2388.9(5)
_cod_original_sg_symbol_H-M      'A b a 2 '
_cod_original_formula_sum        'C30 H26 Cu N4 '
_cod_database_code               4312664
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y+1/2,z+1/2
-x+1/2,y+1/2,z
-x+1/2,y,z+1/2
x+1/2,-y+1/2,z
x+1/2,-y,z+1/2
-x,-y,z
-x,-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.0000 0.0000 0.99929(5) 0.0259(1) Uani 1.00 2 d S . .
N1 N 0.9770(2) 0.2070(4) 1.0530(1) 0.0258(7) Uani 1.00 1 d . . .
N2 N 0.8973(2) 0.0612(5) 0.9492(1) 0.0257(7) Uani 1.00 1 d . . .
C1 C 0.8461(2) 0.3360(5) 0.9999(2) 0.0311(8) Uani 1.00 1 d . . .
C2 C 0.9082(3) 0.3304(5) 1.0461(2) 0.0297(9) Uani 1.00 1 d . . .
C3 C 0.8420(2) 0.2090(5) 0.9560(1) 0.0287(9) Uani 1.00 1 d . . .
C4 C 1.0328(3) 0.2137(4) 1.1023(2) 0.0276(8) Uani 1.00 1 d . . .
C5 C 0.9950(3) 0.2496(7) 1.1555(2) 0.035(1) Uani 1.00 1 d . . .
C6 C 1.0532(4) 0.2507(6) 1.2022(2) 0.041(1) Uani 1.00 1 d . . .
C7 C 1.1478(3) 0.2138(6) 1.1971(2) 0.038(1) Uani 1.00 1 d . . .
C8 C 1.1864(3) 0.1759(6) 1.1445(2) 0.044(1) Uani 1.00 1 d . . .
C9 C 1.1284(3) 0.1753(6) 1.0979(2) 0.0342(9) Uani 1.00 1 d . . .
C10 C 0.8857(3) -0.0524(6) 0.9007(2) 0.0278(8) Uani 1.00 1 d . . .
C11 C 0.9022(3) -0.2457(6) 0.9062(2) 0.0325(9) Uani 1.00 1 d . . .
C12 C 0.8932(3) -0.3628(5) 0.8601(2) 0.036(1) Uani 1.00 1 d . . .
C13 C 0.8670(3) -0.2924(6) 0.8083(2) 0.040(1) Uani 1.00 1 d . . .
C14 C 0.8535(3) -0.1021(6) 0.8022(2) 0.041(1) Uani 1.00 1 d . . .
C15 C 0.8615(3) 0.0205(6) 0.8477(2) 0.034(1) Uani 1.00 1 d . . .
H1 H 0.8016(2) 0.4361(5) 0.9993(2) 0.038(1) Uiso 1.00 1 c . . .
H2 H 0.9008(3) 0.4232(5) 1.0746(2) 0.035(1) Uiso 1.00 1 c . . .
H3 H 0.7960(2) 0.2315(5) 0.9277(1) 0.035(1) Uiso 1.00 1 c . . .
H4 H 0.9293(3) 0.2709(7) 1.1597(2) 0.042(1) Uiso 1.00 1 c . . .
H5 H 1.0274(4) 0.2795(6) 1.2381(2) 0.049(1) Uiso 1.00 1 c . . .
H6 H 1.1869(3) 0.2142(6) 1.2296(2) 0.046(1) Uiso 1.00 1 c . . .
H7 H 1.2517(3) 0.1490(6) 1.1410(2) 0.053(2) Uiso 1.00 1 c . . .
H8 H 1.1544(3) 0.1477(6) 1.0620(2) 0.041(1) Uiso 1.00 1 c . . .
H9 H 0.9201(3) -0.2971(6) 0.9416(2) 0.039(1) Uiso 1.00 1 c . . .
H10 H 0.9036(3) -0.4945(5) 0.8643(2) 0.043(1) Uiso 1.00 1 c . . .
H11 H 0.8601(3) -0.3747(6) 0.7770(2) 0.049(2) Uiso 1.00 1 c . . .
H12 H 0.8371(3) -0.0525(6) 0.7663(2) 0.049(1) Uiso 1.00 1 c . . .
H13 H 0.8510(3) 0.1520(6) 0.8431(2) 0.041(1) Uiso 1.00 1 c . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Cu Cu 0.284 1.430
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 . Cu1 . N2 . 96.14(15) yes
Cu1 . N1 . C2 . 122.4(3) yes
Cu1 . N1 . C4 . 118.0(2) yes
C2 . N1 . C4 . 119.5(3) yes
Cu1 . N2 . C3 . 123.5(3) yes
Cu1 . N2 . C10 . 117.5(3) yes
C3 . N2 . C10 . 118.8(3) yes
C2 . C1 . C3 . 126.7(3) yes
C2 . C1 . H1 . 116.6(2) no
C3 . C1 . H1 . 116.7(2) no
N1 . C2 . C1 . 125.3(4) yes
N1 . C2 . H2 . 116.9(2) no
C1 . C2 . H2 . 117.8(2) no
N2 . C3 . C1 . 125.9(3) yes
N2 . C3 . H3 . 117.1(2) no
C1 . C3 . H3 . 116.9(2) no
N1 . C4 . C5 . 122.9(4) yes
N1 . C4 . C9 . 118.4(4) yes
C5 . C4 . C9 . 118.6(4) yes
C4 . C5 . C6 . 119.9(4) yes
C4 . C5 . H4 . 120.0(2) no
C6 . C5 . H4 . 120.1(3) no
C5 . C6 . C7 . 120.8(4) yes
C5 . C6 . H5 . 119.5(3) no
C7 . C6 . H5 . 119.8(3) no
C6 . C7 . C8 . 120.0(4) yes
C6 . C7 . H6 . 119.9(3) no
C8 . C7 . H6 . 120.1(3) no
C7 . C8 . C9 . 119.2(4) yes
C7 . C8 . H7 . 120.1(3) no
C9 . C8 . H7 . 120.7(3) no
C4 . C9 . C8 . 121.4(4) yes
C4 . C9 . H8 . 119.2(2) no
C8 . C9 . H8 . 119.4(3) no
N2 . C10 . C11 . 117.6(4) yes
N2 . C10 . C15 . 123.3(4) yes
C11 . C10 . C15 . 119.1(4) yes
C10 . C11 . C12 . 120.0(4) yes
C10 . C11 . H9 . 120.2(2) no
C12 . C11 . H9 . 119.8(3) no
C11 . C12 . C13 . 121.1(4) yes
C11 . C12 . H10 . 119.5(3) no
C13 . C12 . H10 . 119.4(3) no
C12 . C13 . C14 . 119.3(4) yes
C12 . C13 . H11 . 120.3(3) no
C14 . C13 . H11 . 120.4(3) no
C13 . C14 . C15 . 121.4(4) yes
C13 . C14 . H12 . 119.6(3) no
C15 . C14 . H12 . 119.0(3) no
C10 . C15 . C14 . 119.2(4) yes
C10 . C15 . H13 . 120.2(3) no
C14 . C15 . H13 . 120.6(3) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 . N1 . 1.971(4) yes
Cu1 . N2 . 1.931(4) yes
N1 . C2 . 1.321(5) yes
N1 . C4 . 1.415(5) yes
N2 . C3 . 1.318(5) yes
N2 . C10 . 1.415(6) yes
C1 . C2 . 1.410(6) yes
C1 . C3 . 1.379(6) yes
C1 . H1 . 0.9500(8) no
C2 . H2 . 0.9499(9) no
C3 . H3 . 0.9501(9) no
C4 . C5 . 1.396(6) yes
C4 . C9 . 1.388(5) yes
C5 . C6 . 1.383(7) yes
C5 . H4 . 0.9500(12) no
C6 . C7 . 1.373(7) yes
C6 . H5 . 0.9500(12) no
C7 . C8 . 1.390(7) yes
C7 . H6 . 0.950(1) no
C8 . C9 . 1.380(6) yes
C8 . H7 . 0.9500(12) no
C9 . H8 . 0.9500(12) no
C10 . C11 . 1.396(6) yes
C10 . C15 . 1.405(6) yes
C11 . C12 . 1.382(6) yes
C11 . H9 . 0.9500(11) no
C12 . C13 . 1.378(7) yes
C12 . H10 . 0.9500(11) no
C13 . C14 . 1.370(6) yes
C13 . H11 . 0.950(1) no
C14 . C15 . 1.392(6) yes
C14 . H12 . 0.9501(12) no
C15 . H13 . 0.9500(11) no
loop_
_geom_contact_atom_site_label_1
_geom_contact_site_symmetry_1
_geom_contact_atom_site_label_2
_geom_contact_site_symmetry_2
_geom_contact_distance
_geom_contact_publ_flag
Cu1 . N1 . 1.971(4) yes
Cu1 . N1 7_755 1.971(4) yes
Cu1 . N2 . 1.931(4) yes
Cu1 . N2 7_755 1.931(4) yes
Cu1 . C1 . 3.231(4) yes
Cu1 . C1 7_755 3.231(4) yes
Cu1 . C2 . 2.901(4) yes
Cu1 . C2 7_755 2.901(4) yes
Cu1 . C3 . 2.876(4) yes
Cu1 . C3 7_755 2.876(4) yes
Cu1 . C4 . 2.916(5) yes
Cu1 . C4 7_755 2.916(5) yes
Cu1 . C9 . 3.217(5) yes
Cu1 . C9 7_755 3.217(5) yes
Cu1 . C10 . 2.873(5) yes
Cu1 . C10 7_755 2.873(5) yes
Cu1 . C11 . 3.137(5) yes
Cu1 . C11 7_755 3.137(5) yes
Cu1 . H8 . 2.848(5) no
Cu1 . H8 7_755 2.848(5) no
Cu1 . H9 . 2.756(5) no
Cu1 . H9 7_755 2.756(5) no
N1 . N1 7_755 3.005(7) yes
N1 . N2 . 2.903(5) yes
N1 . N2 7_755 3.587(5) yes
N1 . C1 . 2.425(5) yes
N1 . C2 . 1.321(5) yes
N1 . C3 . 2.997(6) yes
N1 . C4 . 1.415(5) yes
N1 . C4 7_755 3.207(5) yes
N1 . C5 . 2.468(7) yes
N1 . C9 . 2.408(6) yes
N1 . C9 7_755 3.273(6) yes
N1 . H1 . 3.234(5) no
N1 . H2 . 1.945(5) no
N1 . H2 7_765 3.184(6) no
N1 . H4 . 2.663(7) no
N1 . H8 . 2.560(6) no
N1 . H8 7_755 3.137(6) no
N1 . H9 7_755 3.089(6) no
N2 . N2 7_755 3.040(7) yes
N2 . C1 . 2.402(6) yes
N2 . C2 . 2.994(6) yes
N2 . C3 . 1.318(5) yes
N2 . C10 . 1.415(6) yes
N2 . C10 7_755 3.288(6) yes
N2 . C11 . 2.404(6) yes
N2 . C11 7_755 3.292(6) yes
N2 . C15 . 2.482(7) yes
N2 . H1 . 3.213(6) no
N2 . H1 3_645 3.188(6) no
N2 . H3 . 1.945(5) no
N2 . H8 7_755 3.148(6) no
N2 . H9 . 2.566(6) no
N2 . H9 7_755 3.088(6) no
N2 . H13 . 2.684(7) no
C1 . C2 . 1.410(6) yes
C1 . C3 . 1.379(6) yes
C1 . H1 . 0.9500(8) no
C1 . H1 3_645 3.524(5) no
C1 . H2 . 2.035(7) no
C1 . H3 . 1.998(7) no
C1 . H8 5_455 3.096(6) no
C1 . H9 1_565 3.127(6) no
C1 . H10 1_565 3.534(8) no
C2 . C2 7_765 3.543(8) yes
C2 . C3 . 2.492(6) yes
C2 . C4 . 2.364(6) yes
C2 . C4 7_765 3.594(6) yes
C2 . C5 . 2.933(7) yes
C2 . C9 . 3.532(7) yes
C2 . H1 . 2.022(6) no
C2 . H2 . 0.9499(9) no
C2 . H2 7_765 3.294(8) no
C2 . H3 . 3.307(7) no
C2 . H4 . 2.748(7) no
C2 . H7 5_455 3.168(7) no
C2 . H8 7_755 3.523(6) no
C2 . H9 7_755 3.486(6) no
C3 . C10 . 2.353(6) yes
C3 . C11 . 3.536(7) yes
C3 . C15 . 2.912(7) yes
C3 . H1 . 1.996(6) no
C3 . H1 3_645 2.992(5) no
C3 . H2 . 3.309(7) no
C3 . H3 . 0.9501(9) no
C3 . H8 7_755 3.568(6) no
C3 . H9 7_755 3.448(6) no
C3 . H10 1_565 3.151(6) no
C3 . H13 . 2.716(7) no
C4 . C4 7_755 3.169(7) yes
C4 . C5 . 1.396(6) yes
C4 . C5 7_755 3.540(7) yes
C4 . C6 . 2.405(7) yes
C4 . C7 . 2.782(7) yes
C4 . C8 . 2.414(6) yes
C4 . C9 . 1.388(5) yes
C4 . C9 7_755 3.583(6) yes
C4 . H2 . 2.478(6) no
C4 . H2 7_765 2.818(6) no
C4 . H4 . 2.043(6) no
C4 . H5 . 3.260(7) no
C4 . H7 . 3.272(7) no
C4 . H8 . 2.029(6) no
C5 . C5 7_755 3.540(11) yes
C5 . C5 7_765 3.552(11) yes
C5 . C6 . 1.383(7) yes
C5 . C7 . 2.396(7) yes
C5 . C8 . 2.776(7) yes
C5 . C9 . 2.394(6) yes
C5 . H2 . 2.645(7) no
C5 . H2 7_765 3.355(7) no
C5 . H4 . 0.9500(12) no
C5 . H4 7_765 3.565(11) no
C5 . H5 . 2.026(7) no
C5 . H6 . 3.251(7) no
C5 . H7 5_455 3.543(7) no
C5 . H8 . 3.251(6) no
C5 . H11 2_555 3.574(8) no
C6 . C7 . 1.373(7) yes
C6 . C8 . 2.393(7) yes
C6 . C9 . 2.751(7) yes
C6 . H4 . 2.033(7) no
C6 . H4 7_765 3.546(8) no
C6 . H5 . 0.9500(12) no
C6 . H6 . 2.021(7) no
C6 . H7 . 3.250(8) no
C6 . H11 2_555 3.384(7) no
C6 . H11 8_745 3.431(7) no
C6 . H12 8_755 3.052(7) no
C7 . C8 . 1.390(7) yes
C7 . C9 . 2.390(7) yes
C7 . H4 . 3.251(7) no
C7 . H5 . 2.020(7) no
C7 . H6 . 0.950(1) no
C7 . H7 . 2.039(7) no
C7 . H8 . 3.247(8) no
C7 . H11 8_745 3.065(6) no
C7 . H12 6_545 3.350(7) no
C7 . H12 8_755 2.918(6) no
C7 . H13 8_755 3.597(8) no
C8 . C9 . 1.380(6) yes
C8 . H2 5_555 3.536(7) no
C8 . H2 7_765 3.516(6) no
C8 . H4 5_555 3.485(8) no
C8 . H4 7_755 3.584(8) no
C8 . H5 . 3.250(7) no
C8 . H6 . 2.039(7) no
C8 . H7 . 0.9500(12) no
C8 . H7 3_755 3.467(4) no
C8 . H8 . 2.024(7) no
C9 . H1 5_555 3.485(7) no
C9 . H2 7_765 2.928(6) no
C9 . H4 . 3.255(6) no
C9 . H4 7_755 3.581(7) no
C9 . H6 . 3.249(7) no
C9 . H7 . 2.036(6) no
C9 . H8 . 0.9500(12) no
C10 . C10 7_755 3.328(8) yes
C10 . C11 . 1.396(6) yes
C10 . C12 . 2.405(6) yes
C10 . C13 . 2.791(7) yes
C10 . C14 . 2.412(7) yes
C10 . C15 . 1.405(6) yes
C10 . H1 3_645 3.542(7) no
C10 . H3 . 2.465(6) no
C10 . H3 3_645 3.066(6) no
C10 . H9 . 2.046(6) no
C10 . H10 . 3.261(7) no
C10 . H12 . 3.267(8) no
C10 . H13 . 2.054(6) no
C11 . C12 . 1.382(6) yes
C11 . C13 . 2.403(7) yes
C11 . C14 . 2.762(7) yes
C11 . C15 . 2.414(6) yes
C11 . H1 1_545 3.466(6) no
C11 . H3 3_645 2.863(6) no
C11 . H9 . 0.9500(11) no
C11 . H10 . 2.026(6) no
C11 . H10 7_745 3.461(6) no
C11 . H11 . 3.259(7) no
C11 . H13 . 3.275(6) no
C12 . C13 . 1.378(7) yes
C12 . C14 . 2.371(6) yes
C12 . C15 . 2.769(6) yes
C12 . H3 1_545 3.571(6) no
C12 . H3 3_645 3.199(6) no
C12 . H9 . 2.029(7) no
C12 . H10 . 0.9500(11) no
C12 . H10 7_745 3.058(9) no
C12 . H11 . 2.030(7) no
C12 . H12 . 3.229(7) no
C12 . H13 1_545 3.513(6) no
C12 . H13 3_645 3.488(7) no
C13 . C14 . 1.370(6) yes
C13 . C15 . 2.408(6) yes
C13 . H5 2_544 2.869(7) no
C13 . H6 6_444 3.215(7) no
C13 . H9 . 3.255(7) no
C13 . H10 . 2.022(6) no
C13 . H11 . 0.950(1) no
C13 . H12 . 2.016(7) no
C13 . H12 3_645 3.574(7) no
C13 . H13 . 3.264(7) no
C13 . H13 3_645 3.224(7) no
C14 . C15 . 1.392(6) yes
C14 . H5 2_544 3.018(7) no
C14 . H5 8_754 3.225(7) no
C14 . H6 6_444 3.032(6) no
C14 . H6 8_754 3.296(7) no
C14 . H10 . 3.227(7) no
C14 . H11 . 2.024(6) no
C14 . H11 3_655 3.485(7) no
C14 . H12 . 0.9501(12) no
C14 . H13 . 2.047(6) no
C14 . H13 3_645 3.521(7) no
C15 . H3 . 2.591(6) no
C15 . H3 3_645 3.579(6) no
C15 . H5 8_754 3.358(7) no
C15 . H6 8_754 3.447(7) no
C15 . H9 . 3.276(6) no
C15 . H10 1_565 3.510(6) no
C15 . H11 . 3.266(7) no
C15 . H12 . 2.031(7) no
C15 . H13 . 0.9500(11) no
H1 . H2 . 2.278(7) no
H1 . H3 . 2.237(7) no
H1 . H3 3_655 3.032(6) no
H1 . H7 5_455 3.493(9) no
H1 . H8 5_455 2.632(6) no
H1 . H8 7_765 3.362(7) no
H1 . H9 1_565 2.878(6) no
H1 . H10 1_565 3.554(8) no
H2 . H2 7_765 3.018(8) no
H2 . H4 . 2.327(7) no
H2 . H7 5_455 2.688(6) no
H2 . H8 5_455 3.544(7) no
H2 . H8 7_765 3.154(6) no
H3 . H9 3_655 3.090(6) no
H3 . H10 1_565 2.894(6) no
H3 . H10 3_655 3.585(6) no
H3 . H13 . 2.229(6) no
H4 . H5 . 2.327(7) no
H4 . H7 5_455 2.620(7) no
H4 . H11 2_555 3.131(8) no
H4 . H12 2_555 3.115(7) no
H5 . H5 7_765 3.221(9) no
H5 . H6 . 2.317(7) no
H5 . H11 2_555 2.772(7) no
H5 . H11 8_745 3.410(7) no
H5 . H12 2_555 3.026(8) no
H5 . H12 8_755 2.808(7) no
H5 . H13 8_755 3.072(7) no
H6 . H7 . 2.343(7) no
H6 . H11 6_545 2.934(7) no
H6 . H11 8_745 2.739(6) no
H6 . H12 6_545 2.573(6) no
H6 . H12 8_755 2.574(7) no
H6 . H13 8_755 2.909(7) no
H7 . H7 3_745 3.544(4) no
H7 . H7 3_755 3.544(4) no
H7 . H8 . 2.331(6) no
H7 . H12 6_545 3.287(8) no
H8 . H9 7_755 3.228(7) no
H9 . H10 . 2.321(6) no
H9 . H10 7_745 3.437(6) no
H10 . H10 7_745 2.737(8) no
H10 . H11 . 2.323(7) no
H10 . H13 1_545 2.662(6) no
H11 . H12 . 2.320(7) no
H11 . H12 3_645 3.080(7) no
H11 . H13 3_645 3.387(7) no
H12 . H13 . 2.337(7) no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_site_symmetry_1
_geom_torsion_atom_site_label_2
_geom_torsion_site_symmetry_2
_geom_torsion_atom_site_label_3
_geom_torsion_site_symmetry_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N2 . Cu1 . N1 . C2 . -0.6(6) yes
N2 . Cu1 . N1 . C4 . 174.9(5) yes
N1 . Cu1 . N2 . C3 . 3.1(6) yes
N1 . Cu1 . N2 . C10 . 178.7(5) yes
Cu1 . N1 . C2 . C1 . -2.7(6) yes
C4 . N1 . C2 . C1 . -178.1(4) yes
Cu1 . N1 . C4 . C5 . -135.6(4) yes
Cu1 . N1 . C4 . C9 . 41.6(5) yes
C2 . N1 . C4 . C5 . 40.1(8) yes
C2 . N1 . C4 . C9 . -142.7(5) yes
Cu1 . N2 . C3 . C1 . -2.7(6) yes
C10 . N2 . C3 . C1 . -178.1(5) yes
Cu1 . N2 . C10 . C11 . 38.1(5) yes
Cu1 . N2 . C10 . C15 . -139.8(4) yes
C3 . N2 . C10 . C11 . -146.2(5) yes
C3 . N2 . C10 . C15 . 35.9(8) yes
C3 . C1 . C2 . N1 . 4.3(9) yes
C2 . C1 . C3 . N2 . -1.3(9) yes
N1 . C4 . C5 . C6 . 178.8(5) yes
C9 . C4 . C5 . C6 . 1.5(9) yes
N1 . C4 . C9 . C8 . -178.8(5) yes
C5 . C4 . C9 . C8 . -1.4(9) yes
C4 . C5 . C6 . C7 . -1.1(8) yes
C5 . C6 . C7 . C8 . 0.5(9) yes
C6 . C7 . C8 . C9 . -0.3(9) yes
C7 . C8 . C9 . C4 . 0.8(8) yes
N2 . C10 . C11 . C12 . -179.1(4) yes
C15 . C10 . C11 . C12 . -1.1(8) yes
N2 . C10 . C15 . C14 . 178.7(5) yes
C11 . C10 . C15 . C14 . 0.8(8) yes
C10 . C11 . C12 . C13 . -0.6(8) yes
C11 . C12 . C13 . C14 . 2.7(9) yes
C12 . C13 . C14 . C15 . -3.0(9) yes
C13 . C14 . C15 . C10 . 1.3(9) yes
