#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/81/2018154.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2018154
loop_
_publ_author_name
'Willcocks, Alexander M.'
'Johnson, Andrew L.'
'Raithby, Paul R.'
'Schiffers, Stefanie'
'Warren, John E.'
_publ_section_title
;
 Bis(tert-butyl
 isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ²N,N']copper(I)
;
_journal_coeditor_code           SK3409
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m215
_journal_page_last               m217
_journal_paper_doi               10.1107/S010827011101972X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C19 H13 F2 N2) (C5 H9 N)2]'
_chemical_formula_moiety         'C29 H31 Cu F2 N4'
_chemical_formula_sum            'C29 H31 Cu F2 N4'
_chemical_formula_weight         537.12
_chemical_name_systematic
'Bis(tert-butyl isocyanide-κC)[4-fluoro-N-({2-[N-(4-fluorophenyl)carboximidoyl]cyclopenta-2,4-dien-1-ylidene}methyl)anilinido-κ²N,N']copper(I)'
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 97.462(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.943(4)
_cell_length_b                   9.240(2)
_cell_length_c                   21.642(5)
_cell_measurement_reflns_used    31260
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.55
_cell_measurement_theta_min      1.9
_cell_volume                     2764.6(12)
_computing_cell_refinement       'APEX2 (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       ω
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6939
_diffrn_reflns_av_R_equivalents  0.0826
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            27368
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.785
_exptl_absorpt_correction_T_max  0.985
_exptl_absorpt_correction_T_min  0.937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.465
_refine_diff_density_min         -0.700
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         7148
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0000P)²+0.6015P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1648
_reflns_number_gt                5331
_reflns_number_total             7148
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sk3409.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2018154
_cod_database_fobs_code          2018154
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.33358(2) 0.06340(3) 0.615672(15) 0.02938(13) Uani d . 1 1 . .
N N1 0.32502(17) -0.2651(3) 0.59309(11) 0.0340(5) Uani d . 1 1 . .
N N2 0.27499(17) 0.1278(2) 0.69276(11) 0.0309(5) Uani d . 1 1 . .
N N3 0.24473(16) 0.1421(2) 0.53987(11) 0.0310(5) Uani d . 1 1 . .
N N4 0.53299(18) 0.2028(3) 0.65100(11) 0.0362(5) Uani d . 1 1 . .
F F1 0.51405(14) 0.1533(2) 0.91771(9) 0.0534(5) Uani d . 1 1 . .
F F2 0.41146(16) 0.2517(2) 0.32463(9) 0.0614(6) Uani d . 1 1 . .
C C1 0.3296(2) -0.1435(3) 0.60434(13) 0.0342(6) Uani d . 1 1 . .
C C2 0.3143(2) -0.4177(3) 0.57546(15) 0.0374(7) Uani d . 1 1 . .
C C3 0.3080(3) -0.5068(4) 0.63403(17) 0.0520(9) Uani d . 1 1 . .
H H3A 0.3660 -0.4901 0.6640 0.078 Uiso calc R 1 1 . .
H H3B 0.3035 -0.6097 0.6232 0.078 Uiso calc R 1 1 . .
H H3C 0.2505 -0.4778 0.6527 0.078 Uiso calc R 1 1 . .
C C4 0.4034(3) -0.4599(3) 0.54540(18) 0.0487(8) Uani d . 1 1 . .
H H4A 0.4081 -0.3977 0.5092 0.073 Uiso calc R 1 1 . .
H H4B 0.3978 -0.5611 0.5319 0.073 Uiso calc R 1 1 . .
H H4C 0.4615 -0.4480 0.5757 0.073 Uiso calc R 1 1 . .
C C5 0.2220(3) -0.4296(4) 0.53027(19) 0.0562(10) Uani d . 1 1 . .
H H5A 0.1675 -0.3935 0.5502 0.084 Uiso calc R 1 1 . .
H H5B 0.2106 -0.5312 0.5184 0.084 Uiso calc R 1 1 . .
H H5C 0.2282 -0.3720 0.4930 0.084 Uiso calc R 1 1 . .
C C6 0.1844(2) 0.1535(3) 0.69761(14) 0.0319(6) Uani d . 1 1 . .
H H6 0.1709 0.1793 0.7381 0.038 Uiso calc R 1 1 . .
C C7 0.1034(2) 0.1483(3) 0.65107(15) 0.0359(6) Uani d . 1 1 . .
C C8 0.0097(2) 0.1472(3) 0.67007(16) 0.0407(7) Uani d . 1 1 . .
H H8 -0.0035 0.1532 0.7120 0.049 Uiso calc R 1 1 . .
C C9 -0.0599(2) 0.1361(4) 0.61805(17) 0.0471(8) Uani d . 1 1 . .
H H9 -0.1279 0.1314 0.6183 0.057 Uiso calc R 1 1 . .
C C10 -0.0124(2) 0.1330(4) 0.56595(17) 0.0458(8) Uani d . 1 1 . .
H H10 -0.0432 0.1281 0.5242 0.055 Uiso calc R 1 1 . .
C C11 0.0894(2) 0.1382(3) 0.58380(14) 0.0354(6) Uani d . 1 1 . .
C C12 0.1501(2) 0.1428(3) 0.53613(14) 0.0333(6) Uani d . 1 1 . .
H H12 0.1170 0.1471 0.4949 0.040 Uiso calc R 1 1 . .
C C13 0.3399(2) 0.1400(3) 0.74892(13) 0.0311(6) Uani d . 1 1 . .
C C14 0.4021(2) 0.0253(3) 0.76791(14) 0.0349(6) Uani d . 1 1 . .
H H14 0.4041 -0.0566 0.7415 0.042 Uiso calc R 1 1 . .
C C15 0.4606(2) 0.0292(3) 0.82437(15) 0.0391(7) Uani d . 1 1 . .
H H15 0.5010 -0.0505 0.8380 0.047 Uiso calc R 1 1 . .
C C16 0.4591(2) 0.1518(4) 0.86056(14) 0.0395(7) Uani d . 1 1 . .
C C17 0.4027(2) 0.2704(3) 0.84252(14) 0.0391(7) Uani d . 1 1 . .
H H17 0.4048 0.3545 0.8679 0.047 Uiso calc R 1 1 . .
C C18 0.3431(2) 0.2638(3) 0.78656(14) 0.0353(6) Uani d . 1 1 . .
H H18 0.3036 0.3445 0.7733 0.042 Uiso calc R 1 1 . .
C C19 0.2841(2) 0.1669(3) 0.48297(12) 0.0299(6) Uani d . 1 1 . .
C C20 0.2373(2) 0.2516(3) 0.43439(14) 0.0385(7) Uani d . 1 1 . .
H H20 0.1753 0.2907 0.4381 0.046 Uiso calc R 1 1 . .
C C21 0.2794(2) 0.2794(4) 0.38117(14) 0.0430(7) Uani d . 1 1 . .
H H21 0.2469 0.3365 0.3484 0.052 Uiso calc R 1 1 . .
C C22 0.3689(2) 0.2230(4) 0.37666(14) 0.0426(7) Uani d . 1 1 . .
C C23 0.4184(2) 0.1402(3) 0.42303(14) 0.0411(7) Uani d . 1 1 . .
H H23 0.4809 0.1034 0.4191 0.049 Uiso calc R 1 1 . .
C C24 0.3746(2) 0.1117(3) 0.47591(14) 0.0354(6) Uani d . 1 1 . .
H H24 0.4074 0.0529 0.5080 0.042 Uiso calc R 1 1 . .
C C25 0.4588(2) 0.1541(3) 0.63213(13) 0.0347(6) Uani d . 1 1 . .
C C26 0.6265(2) 0.2550(3) 0.68062(14) 0.0395(7) Uani d . 1 1 . .
C C27 0.6071(3) 0.3603(4) 0.73152(19) 0.0609(10) Uani d . 1 1 . .
H H27A 0.5720 0.4446 0.7127 0.091 Uiso calc R 1 1 . .
H H27B 0.6687 0.3918 0.7546 0.091 Uiso calc R 1 1 . .
H H27C 0.5681 0.3124 0.7601 0.091 Uiso calc R 1 1 . .
C C28 0.6846(3) 0.1236(4) 0.70834(18) 0.0524(9) Uani d . 1 1 . .
H H28A 0.6486 0.0745 0.7382 0.079 Uiso calc R 1 1 . .
H H28B 0.7473 0.1561 0.7296 0.079 Uiso calc R 1 1 . .
H H28C 0.6951 0.0563 0.6748 0.079 Uiso calc R 1 1 . .
C C29 0.6779(3) 0.3242(5) 0.63055(19) 0.0613(10) Uani d . 1 1 . .
H H29A 0.6809 0.2551 0.5965 0.092 Uiso calc R 1 1 . .
H H29B 0.7436 0.3516 0.6483 0.092 Uiso calc R 1 1 . .
H H29C 0.6423 0.4106 0.6145 0.092 Uiso calc R 1 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0031 0.0016 'Cromer, D. T. (1983). J. Appl. Cryst. 16, 433'
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 'Cromer, D. T. (1983). J. Appl. Cryst. 16, 433'
F F 0.0176 0.0103 'Cromer, D. T. (1983). J. Appl. Cryst. 16, 433'
Cu Cu 0.3221 1.2697 'Cromer, D. T. (1983). J. Appl. Cryst. 16, 433'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Cu1 C25 . . 117.70(12) y
C1 Cu1 N2 . . 112.67(10) y
C25 Cu1 N2 . . 99.89(11) y
C1 Cu1 N3 . . 104.18(11) y
C25 Cu1 N3 . . 115.54(11) y
N2 Cu1 N3 . . 106.60(9) y
C1 N1 C2 . . 176.3(3) ?
C6 N2 C13 . . 115.6(2) ?
C6 N2 Cu1 . . 127.9(2) ?
C13 N2 Cu1 . . 116.40(17) ?
C12 N3 C19 . . 116.2(2) ?
C12 N3 Cu1 . . 123.2(2) ?
C19 N3 Cu1 . . 118.97(17) ?
C25 N4 C26 . . 174.0(3) ?
N1 C1 Cu1 . . 175.0(3) ?
N1 C2 C5 . . 106.7(3) ?
N1 C2 C3 . . 108.6(3) ?
C5 C2 C3 . . 111.2(3) ?
N1 C2 C4 . . 107.2(2) ?
C5 C2 C4 . . 112.1(3) ?
C3 C2 C4 . . 110.8(3) ?
C2 C3 H3A . . 109.5 ?
C2 C3 H3B . . 109.5 ?
H3A C3 H3B . . 109.5 ?
C2 C3 H3C . . 109.5 ?
H3A C3 H3C . . 109.5 ?
H3B C3 H3C . . 109.5 ?
C2 C4 H4A . . 109.5 ?
C2 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C2 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C2 C5 H5A . . 109.5 ?
C2 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C2 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
N2 C6 C7 . . 129.0(3) ?
N2 C6 H6 . . 115.5 ?
C7 C6 H6 . . 115.5 ?
C6 C7 C8 . . 118.3(3) ?
C6 C7 C11 . . 135.3(3) ?
C8 C7 C11 . . 106.4(3) ?
C9 C8 C7 . . 109.7(3) ?
C9 C8 H8 . . 125.1 ?
C7 C8 H8 . . 125.1 ?
C10 C9 C8 . . 107.7(3) ?
C10 C9 H9 . . 126.1 ?
C8 C9 H9 . . 126.1 ?
C9 C10 C11 . . 110.2(3) ?
C9 C10 H10 . . 124.9 ?
C11 C10 H10 . . 124.9 ?
C12 C11 C10 . . 118.2(3) ?
C12 C11 C7 . . 135.6(3) ?
C10 C11 C7 . . 106.0(3) ?
N3 C12 C11 . . 130.3(3) ?
N3 C12 H12 . . 114.9 ?
C11 C12 H12 . . 114.9 ?
C14 C13 C18 . . 118.4(3) ?
C14 C13 N2 . . 119.5(2) ?
C18 C13 N2 . . 122.1(3) ?
C15 C14 C13 . . 120.9(3) ?
C15 C14 H14 . . 119.5 ?
C13 C14 H14 . . 119.5 ?
C16 C15 C14 . . 118.3(3) ?
C16 C15 H15 . . 120.9 ?
C14 C15 H15 . . 120.9 ?
F1 C16 C17 . . 118.8(3) ?
F1 C16 C15 . . 118.2(3) ?
C17 C16 C15 . . 123.0(3) ?
C16 C17 C18 . . 118.1(3) ?
C16 C17 H17 . . 120.9 ?
C18 C17 H17 . . 120.9 ?
C17 C18 C13 . . 121.2(3) ?
C17 C18 H18 . . 119.4 ?
C13 C18 H18 . . 119.4 ?
C24 C19 C20 . . 117.7(3) ?
C24 C19 N3 . . 119.5(2) ?
C20 C19 N3 . . 122.7(2) ?
C21 C20 C19 . . 121.4(3) ?
C21 C20 H20 . . 119.3 ?
C19 C20 H20 . . 119.3 ?
C22 C21 C20 . . 118.6(3) ?
C22 C21 H21 . . 120.7 ?
C20 C21 H21 . . 120.7 ?
F2 C22 C21 . . 118.9(3) ?
F2 C22 C23 . . 118.7(3) ?
C21 C22 C23 . . 122.4(3) ?
C22 C23 C24 . . 118.3(3) ?
C22 C23 H23 . . 120.9 ?
C24 C23 H23 . . 120.9 ?
C19 C24 C23 . . 121.6(3) ?
C19 C24 H24 . . 119.2 ?
C23 C24 H24 . . 119.2 ?
N4 C25 Cu1 . . 169.9(3) ?
N4 C26 C29 . . 107.7(3) ?
N4 C26 C27 . . 107.3(3) ?
C29 C26 C27 . . 113.2(3) ?
N4 C26 C28 . . 107.9(3) ?
C29 C26 C28 . . 109.8(3) ?
C27 C26 C28 . . 110.9(3) ?
C26 C27 H27A . . 109.5 ?
C26 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C26 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C26 C28 H28A . . 109.5 ?
C26 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C26 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 C1 . 1.927(3) y
Cu1 C25 . 1.928(3) y
Cu1 N2 . 2.039(2) y
Cu1 N3 . 2.056(2) y
Cu1 H24 . 2.6692 y
N1 C1 . 1.150(4) y
N1 C2 . 1.463(4) y
N2 C6 . 1.303(3) y
N2 C13 . 1.422(4) y
N3 C12 . 1.311(4) y
N3 C19 . 1.431(3) y
N4 C25 . 1.153(4) y
N4 C26 . 1.458(4) y
F1 C16 . 1.368(3) ?
F2 C22 . 1.365(3) ?
C2 C5 . 1.516(5) ?
C2 C3 . 1.523(4) ?
C2 C4 . 1.525(4) ?
C3 H3A . 0.9800 ?
C3 H3B . 0.9800 ?
C3 H3C . 0.9800 ?
C4 H4A . 0.9800 ?
C4 H4B . 0.9800 ?
C4 H4C . 0.9800 ?
C5 H5A . 0.9800 ?
C5 H5B . 0.9800 ?
C5 H5C . 0.9800 ?
C6 C7 . 1.413(4) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.420(4) ?
C7 C11 . 1.447(4) ?
C8 C9 . 1.391(5) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.380(5) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.422(4) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.418(4) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.398(4) ?
C13 C18 . 1.401(4) ?
C14 C15 . 1.379(4) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.379(4) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.375(5) ?
C17 C18 . 1.378(4) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
C19 C24 . 1.387(4) ?
C19 C20 . 1.402(4) ?
C20 C21 . 1.384(4) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.367(5) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.374(4) ?
C23 C24 . 1.391(4) ?
C23 H23 . 0.9500 ?
C24 H24 . 0.9500 ?
C26 C29 . 1.516(5) ?
C26 C27 . 1.520(5) ?
C26 C28 . 1.538(5) ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
C28 H28A . 0.9800 ?
C28 H28B . 0.9800 ?
C28 H28C . 0.9800 ?
C29 H29A . 0.9800 ?
C29 H29B . 0.9800 ?
C29 H29C . 0.9800 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C20 H20 F1 4_565 0.95 2.29 3.209(4) 162
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C1 Cu1 N2 C6 . . . . -85.4(3) ?
C25 Cu1 N2 C6 . . . . 148.8(2) ?
N3 Cu1 N2 C6 . . . . 28.2(3) ?
C1 Cu1 N2 C13 . . . . 91.5(2) ?
C25 Cu1 N2 C13 . . . . -34.3(2) ?
N3 Cu1 N2 C13 . . . . -154.86(18) ?
C1 Cu1 N3 C12 . . . . 79.4(2) ?
C25 Cu1 N3 C12 . . . . -149.9(2) ?
N2 Cu1 N3 C12 . . . . -40.0(2) ?
H24 Cu1 N3 C12 . . . . 153.3 ?
C1 Cu1 N3 C19 . . . . -85.8(2) ?
C25 Cu1 N3 C19 . . . . 44.9(2) ?
N2 Cu1 N3 C19 . . . . 154.84(18) ?
C13 N2 C6 C7 . . . . -179.1(3) ?
Cu1 N2 C6 C7 . . . . -2.2(4) ?
N2 C6 C7 C8 . . . . 165.4(3) ?
N2 C6 C7 C11 . . . . -11.9(5) ?
C6 C7 C8 C9 . . . . -177.6(3) ?
C8 C7 C11 C12 . . . . 175.2(3) ?
C6 C7 C11 C10 . . . . 178.1(3) ?
C8 C7 C11 C10 . . . . 0.6(3) ?
C19 N3 C12 C11 . . . . -172.1(3) ?
Cu1 N3 C12 C11 . . . . 22.3(4) ?
C10 C11 C12 N3 . . . . -176.9(3) ?
C6 N2 C13 C14 . . . . 127.1(3) ?
Cu1 N2 C13 C14 . . . . -50.2(3) ?
C6 N2 C13 C18 . . . . -52.4(3) ?
Cu1 N2 C13 C18 . . . . 130.3(2) ?
N2 C13 C14 C15 . . . . -175.1(3) ?
C14 C15 C16 F1 . . . . 177.3(3) ?
C14 C15 C16 C17 . . . . -0.7(5) ?
F1 C16 C17 C18 . . . . -176.0(3) ?
N2 C13 C18 C17 . . . . 176.4(3) ?
C12 N3 C19 C24 . . . . -153.6(3) ?
Cu1 N3 C19 C24 . . . . 12.6(3) ?
C12 N3 C19 C20 . . . . 29.7(4) ?
Cu1 N3 C19 C20 . . . . -164.0(2) ?
N3 C19 C20 C21 . . . . 176.8(3) ?
C20 C21 C22 F2 . . . . -179.1(3) ?
F2 C22 C23 C24 . . . . 179.9(3) ?
N3 C19 C24 C23 . . . . -176.1(3) ?
