#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:55:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179269 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/89/4318908.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_4318908
loop_
_publ_author_name
'Douglas J. E. Spencer'
'Anne M. Reynolds'
'Patrick L. Holland'
'Brian A. Jazdzewski'
'Carole Duboc-Toia'
'Laurent Le Pape'
'Seiji Yokota'
'Yoshimitsu Tachi'
'Shinobu Itoh'
'William B. Tolman'
_publ_section_title
;
 Copper Chemistry of β-Diketiminate Ligands: Monomer/Dimer Equilibria and
 a New Class of Bis(μ-oxo)dicopper Compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6307
_journal_page_last               6321
_journal_paper_doi               10.1021/ic020369k
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'Nermeen Aboelella'
_chemical_formula_moiety         'C50 H66 Cl2 Cu2 N4'
_chemical_formula_sum            'C50 H66 Cl2 Cu2 N4'
_chemical_formula_weight         921.05
_chemical_name_common            01193
_chemical_name_systematic        '[(Me2LEt2)CuCl]2'
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.2870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.6615(9)
_cell_length_b                   12.5107(8)
_cell_length_c                   15.1162(10)
_cell_measurement_reflns_used    3579
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.04
_cell_measurement_theta_min      1.74
_cell_volume                     2438.6(3)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Siemens SMART Platform CCD'
_diffrn_measurement_method       'area detector, 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0097
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18235
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.868551
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             972
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.356
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0339
_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)+(0.0625P)²+0.9437P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0980
_refine_ls_wR_factor_ref         0.1014
_reflns_number_gt                3794
_reflns_number_total             4299
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020369k_4.cif
_cod_data_source_block           01193
_cod_database_code               4318908
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_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 0.381670(19) 0.04743(2) 0.931520(17) 0.04969(12) Uani 1 1 d . . .
N1 N 0.33147(14) 0.11186(16) 0.80874(13) 0.0554(5) Uani 1 1 d . . .
N2 N 0.25159(15) 0.05674(16) 0.95530(14) 0.0562(5) Uani 1 1 d . . .
Cl1 Cl 0.44777(5) -0.10631(6) 1.01711(6) 0.0664(3) Uani 0.8466(19) 1 d P . 1
Cl1' Cl 0.5029(3) -0.0702(4) 0.9151(3) 0.0733(15) Uani 0.1534(19) 1 d P . 2
C1 C 0.1979(2) 0.1746(3) 0.6640(2) 0.0881(9) Uani 1 1 d . . .
H1A H 0.2165 0.2488 0.6670 0.132 Uiso 1 1 calc R . .
H1B H 0.1241 0.1675 0.6355 0.132 Uiso 1 1 calc R . .
H1C H 0.2320 0.1367 0.6273 0.132 Uiso 1 1 calc R . .
C2 C 0.23098(18) 0.1285(2) 0.76219(17) 0.0610(6) Uani 1 1 d . . .
C3 C 0.15215(19) 0.1091(2) 0.79936(18) 0.0675(7) Uani 1 1 d . . .
H3 H 0.0848 0.1157 0.7580 0.081 Uiso 1 1 calc R . .
C4 C 0.16191(18) 0.0810(2) 0.89059(18) 0.0624(6) Uani 1 1 d . . .
C5 C 0.0629(2) 0.0839(3) 0.9161(2) 0.0870(9) Uani 1 1 d . . .
H5A H 0.0512 0.0149 0.9385 0.130 Uiso 1 1 calc R . .
H5B H 0.0053 0.1022 0.8616 0.130 Uiso 1 1 calc R . .
H5C H 0.0698 0.1363 0.9641 0.130 Uiso 1 1 calc R . .
C6 C 0.40540(17) 0.1510(2) 0.76665(16) 0.0576(6) Uani 1 1 d . . .
C7 C 0.4341(2) 0.2578(2) 0.7777(2) 0.0776(8) Uani 1 1 d . . .
C8 C 0.5031(3) 0.2942(3) 0.7340(3) 0.0971(11) Uani 1 1 d . . .
H8 H 0.5241 0.3653 0.7410 0.117 Uiso 1 1 calc R . .
C9 C 0.5400(2) 0.2288(4) 0.6819(3) 0.1007(12) Uani 1 1 d . . .
H9 H 0.5849 0.2553 0.6525 0.121 Uiso 1 1 calc R . .
C10 C 0.5116(3) 0.1230(4) 0.6718(2) 0.0965(11) Uani 1 1 d . . .
H10 H 0.5377 0.0786 0.6356 0.116 Uiso 1 1 calc R . .
C11 C 0.4443(2) 0.0812(3) 0.7151(2) 0.0729(7) Uani 1 1 d . . .
C12 C 0.3895(4) 0.3340(3) 0.8331(3) 0.1192(14) Uani 1 1 d . . .
H12A H 0.3436 0.3839 0.7898 0.143 Uiso 1 1 calc R . .
H12B H 0.3482 0.2932 0.8624 0.143 Uiso 1 1 calc R . .
C13 C 0.4682(5) 0.3952(5) 0.9062(4) 0.173(2) Uani 1 1 d . . .
H13A H 0.4344 0.4407 0.9383 0.260 Uiso 1 1 calc R . .
H13B H 0.5080 0.4380 0.8777 0.260 Uiso 1 1 calc R . .
H13C H 0.5135 0.3466 0.9502 0.260 Uiso 1 1 calc R . .
C14 C 0.4135(4) -0.0356(3) 0.7053(4) 0.1259(16) Uani 1 1 d . . .
H14A H 0.4583 -0.0722 0.7604 0.151 Uiso 1 1 calc R . .
H14B H 0.3436 -0.0399 0.7078 0.151 Uiso 1 1 calc R . .
C15 C 0.4152(7) -0.0940(6) 0.6280(5) 0.236(4) Uani 1 1 d . . .
H15A H 0.3928 -0.1658 0.6330 0.355 Uiso 1 1 calc R . .
H15B H 0.4844 -0.0951 0.6253 0.355 Uiso 1 1 calc R . .
H15C H 0.3694 -0.0616 0.5720 0.355 Uiso 1 1 calc R . .
C16 C 0.25419(18) 0.0411(2) 1.05058(17) 0.0580(6) Uani 1 1 d . . .
C17 C 0.2285(2) -0.0579(2) 1.07930(17) 0.0634(6) Uani 1 1 d . . .
C18 C 0.2284(2) -0.0662(3) 1.1710(2) 0.0769(8) Uani 1 1 d . . .
H18 H 0.2112 -0.1311 1.1919 0.092 Uiso 1 1 calc R . .
C19 C 0.2531(3) 0.0190(3) 1.2311(2) 0.0841(9) Uani 1 1 d . . .
H19 H 0.2521 0.0119 1.2920 0.101 Uiso 1 1 calc R . .
C20 C 0.2791(3) 0.1142(3) 1.2013(2) 0.0915(10) Uani 1 1 d . . .
H20 H 0.2964 0.1716 1.2427 0.110 Uiso 1 1 calc R . .
C21 C 0.2804(3) 0.1276(2) 1.1104(2) 0.0794(8) Uani 1 1 d . . .
C22 C 0.1966(3) -0.1512(3) 1.0118(2) 0.0852(9) Uani 1 1 d . . .
H22A H 0.1242 -0.1418 0.9747 0.102 Uiso 1 1 calc R . .
H22B H 0.2362 -0.1471 0.9692 0.102 Uiso 1 1 calc R . .
C23 C 0.2091(4) -0.2589(3) 1.0517(3) 0.1194(14) Uani 1 1 d . . .
H23A H 0.1859 -0.3104 1.0021 0.179 Uiso 1 1 calc R . .
H23B H 0.1688 -0.2656 1.0927 0.179 Uiso 1 1 calc R . .
H23C H 0.2809 -0.2713 1.0864 0.179 Uiso 1 1 calc R . .
C24 C 0.3097(6) 0.2338(4) 1.0780(4) 0.153(2) Uani 1 1 d . . .
H24A H 0.3304 0.2192 1.0236 0.184 Uiso 1 1 calc R . 1
H24B H 0.2469 0.2762 1.0561 0.184 Uiso 1 1 calc R . 1
C25 C 0.3795(16) 0.2932(18) 1.1323(6) 0.160(8) Uani 0.65(3) 1 d P . 1
H25A H 0.3859 0.3573 1.0998 0.240 Uiso 0.65(3) 1 calc PR . 1
H25B H 0.4445 0.2558 1.1518 0.240 Uiso 0.65(3) 1 calc PR . 1
H25C H 0.3607 0.3113 1.1863 0.240 Uiso 0.65(3) 1 calc PR . 1
C25' C 0.300(4) 0.3268(13) 1.093(3) 0.170(15) Uani 0.35(3) 1 d P . 2
H25D H 0.3372 0.3696 1.0625 0.255 Uiso 0.35(3) 1 calc PR . 2
H25E H 0.3267 0.3395 1.1597 0.255 Uiso 0.35(3) 1 calc PR . 2
H25F H 0.2277 0.3456 1.0702 0.255 Uiso 0.35(3) 1 calc PR . 2
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'
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
N2 Cu1 N1 95.59(8) . . ?
N2 Cu1 Cl1' 143.39(15) . . ?
N1 Cu1 Cl1' 101.78(13) . . ?
N2 Cu1 Cl1 143.48(7) . 3_657 ?
N1 Cu1 Cl1 100.83(6) . 3_657 ?
Cl1' Cu1 Cl1 63.76(13) . 3_657 ?
N2 Cu1 Cl1 99.12(6) . . ?
N1 Cu1 Cl1 146.02(7) . . ?
Cl1' Cu1 Cl1 50.75(13) . . ?
Cl1 Cu1 Cl1 85.06(3) 3_657 . ?
N2 Cu1 Cl1' 99.66(12) . 3_657 ?
N1 Cu1 Cl1' 143.83(15) . 3_657 ?
Cl1' Cu1 Cl1' 84.93(15) . 3_657 ?
Cl1 Cu1 Cl1' 50.13(12) 3_657 3_657 ?
Cl1 Cu1 Cl1' 62.70(13) . 3_657 ?
N2 Cu1 Cu1 130.70(6) . 3_657 ?
N1 Cu1 Cu1 133.70(6) . 3_657 ?
Cl1' Cu1 Cu1 43.16(10) . 3_657 ?
Cl1 Cu1 Cu1 42.622(18) 3_657 3_657 ?
Cl1 Cu1 Cu1 42.440(17) . 3_657 ?
Cl1' Cu1 Cu1 41.77(9) 3_657 3_657 ?
C2 N1 C6 117.46(18) . . ?
C2 N1 Cu1 123.27(15) . . ?
C6 N1 Cu1 119.13(14) . . ?
C4 N2 C16 118.7(2) . . ?
C4 N2 Cu1 124.04(16) . . ?
C16 N2 Cu1 117.22(15) . . ?
Cu1 Cl1 Cu1 94.94(3) 3_657 . ?
Cu1 Cl1' Cu1 95.07(15) . 3_657 ?
N1 C2 C3 123.9(2) . . ?
N1 C2 C1 119.8(2) . . ?
C3 C2 C1 116.2(2) . . ?
C4 C3 C2 127.8(2) . . ?
N2 C4 C3 123.6(2) . . ?
N2 C4 C5 120.0(2) . . ?
C3 C4 C5 116.3(2) . . ?
C7 C6 C11 121.9(2) . . ?
C7 C6 N1 119.0(2) . . ?
C11 C6 N1 119.1(2) . . ?
C6 C7 C8 117.8(3) . . ?
C6 C7 C12 121.4(3) . . ?
C8 C7 C12 120.8(3) . . ?
C9 C8 C7 121.5(3) . . ?
C8 C9 C10 120.4(3) . . ?
C9 C10 C11 121.0(4) . . ?
C6 C11 C10 117.5(3) . . ?
C6 C11 C14 121.1(3) . . ?
C10 C11 C14 121.4(3) . . ?
C13 C12 C7 114.3(4) . . ?
C15 C14 C11 120.7(4) . . ?
C21 C16 C17 122.0(2) . . ?
C21 C16 N2 117.7(2) . . ?
C17 C16 N2 120.3(2) . . ?
C18 C17 C16 117.3(3) . . ?
C18 C17 C22 121.3(3) . . ?
C16 C17 C22 121.3(2) . . ?
C19 C18 C17 121.5(3) . . ?
C20 C19 C18 119.7(3) . . ?
C19 C20 C21 121.5(3) . . ?
C16 C21 C20 117.9(3) . . ?
C16 C21 C24 121.0(3) . . ?
C20 C21 C24 121.1(3) . . ?
C23 C22 C17 117.6(3) . . ?
C25' C24 C25 54.4(15) . . ?
C25' C24 C21 136.6(10) . . ?
C25 C24 C21 121.7(8) . . ?
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 N2 1.9295(19) . ?
Cu1 N1 1.9297(18) . ?
Cu1 Cl1' 2.290(4) . ?
Cu1 Cl1 2.3194(7) 3_657 ?
Cu1 Cl1 2.3274(7) . ?
Cu1 Cl1' 2.351(4) 3_657 ?
Cu1 Cu1 3.4243(5) 3_657 ?
N1 C2 1.336(3) . ?
N1 C6 1.446(3) . ?
N2 C4 1.326(3) . ?
N2 C16 1.442(3) . ?
Cl1 Cu1 2.3194(7) 3_657 ?
Cl1' Cu1 2.351(4) 3_657 ?
C1 C2 1.516(3) . ?
C2 C3 1.391(3) . ?
C3 C4 1.386(4) . ?
C4 C5 1.524(3) . ?
C6 C7 1.386(4) . ?
C6 C11 1.388(4) . ?
C7 C8 1.395(4) . ?
C7 C12 1.522(5) . ?
C8 C9 1.343(5) . ?
C9 C10 1.373(6) . ?
C10 C11 1.395(4) . ?
C11 C14 1.514(5) . ?
C12 C13 1.476(6) . ?
C14 C15 1.384(6) . ?
C16 C21 1.379(4) . ?
C16 C17 1.396(4) . ?
C17 C18 1.390(4) . ?
C17 C22 1.516(4) . ?
C18 C19 1.368(5) . ?
C19 C20 1.362(5) . ?
C20 C21 1.389(4) . ?
C21 C24 1.516(5) . ?
C22 C23 1.463(5) . ?
C24 C25' 1.203(17) . ?
C24 C25 1.272(9) . ?
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
N2 Cu1 N1 C2 -11.9(2) . . . . ?
Cl1' Cu1 N1 C2 135.7(2) . . . . ?
Cl1 Cu1 N1 C2 -159.18(19) 3_657 . . . ?
Cl1 Cu1 N1 C2 103.5(2) . . . . ?
Cl1' Cu1 N1 C2 -126.7(2) 3_657 . . . ?
Cu1 Cu1 N1 C2 169.41(16) 3_657 . . . ?
N2 Cu1 N1 C6 163.75(18) . . . . ?
Cl1' Cu1 N1 C6 -48.7(2) . . . . ?
Cl1 Cu1 N1 C6 16.52(18) 3_657 . . . ?
Cl1 Cu1 N1 C6 -80.8(2) . . . . ?
Cl1' Cu1 N1 C6 48.9(3) 3_657 . . . ?
Cu1 Cu1 N1 C6 -14.9(2) 3_657 . . . ?
N1 Cu1 N2 C4 11.6(2) . . . . ?
Cl1' Cu1 N2 C4 -106.8(3) . . . . ?
Cl1 Cu1 N2 C4 128.30(19) 3_657 . . . ?
Cl1 Cu1 N2 C4 -137.7(2) . . . . ?
Cl1' Cu1 N2 C4 158.7(2) 3_657 . . . ?
Cu1 Cu1 N2 C4 -169.69(18) 3_657 . . . ?
N1 Cu1 N2 C16 -165.34(17) . . . . ?
Cl1' Cu1 N2 C16 76.3(3) . . . . ?
Cl1 Cu1 N2 C16 -48.6(2) 3_657 . . . ?
Cl1 Cu1 N2 C16 45.39(18) . . . . ?
Cl1' Cu1 N2 C16 -18.3(2) 3_657 . . . ?
Cu1 Cu1 N2 C16 13.4(2) 3_657 . . . ?
N2 Cu1 Cl1 Cu1 -143.43(7) . . . 3_657 ?
N1 Cu1 Cl1 Cu1 102.08(10) . . . 3_657 ?
Cl1' Cu1 Cl1 Cu1 59.84(15) . . . 3_657 ?
Cl1 Cu1 Cl1 Cu1 0.0 3_657 . . 3_657 ?
Cl1' Cu1 Cl1 Cu1 -47.20(12) 3_657 . . 3_657 ?
N2 Cu1 Cl1' Cu1 -99.4(2) . . . 3_657 ?
N1 Cu1 Cl1' Cu1 144.03(14) . . . 3_657 ?
Cl1 Cu1 Cl1' Cu1 47.65(11) 3_657 . . 3_657 ?
Cl1 Cu1 Cl1' Cu1 -58.54(12) . . . 3_657 ?
Cl1' Cu1 Cl1' Cu1 0.0 3_657 . . 3_657 ?
C6 N1 C2 C3 -170.7(3) . . . . ?
Cu1 N1 C2 C3 5.1(4) . . . . ?
C6 N1 C2 C1 7.3(4) . . . . ?
Cu1 N1 C2 C1 -177.0(2) . . . . ?
N1 C2 C3 C4 7.3(5) . . . . ?
C1 C2 C3 C4 -170.8(3) . . . . ?
C16 N2 C4 C3 172.7(3) . . . . ?
Cu1 N2 C4 C3 -4.2(4) . . . . ?
C16 N2 C4 C5 -4.5(4) . . . . ?
Cu1 N2 C4 C5 178.6(2) . . . . ?
C2 C3 C4 N2 -7.8(5) . . . . ?
C2 C3 C4 C5 169.5(3) . . . . ?
C2 N1 C6 C7 81.9(3) . . . . ?
Cu1 N1 C6 C7 -94.0(2) . . . . ?
C2 N1 C6 C11 -97.1(3) . . . . ?
Cu1 N1 C6 C11 87.0(2) . . . . ?
C11 C6 C7 C8 0.9(4) . . . . ?
N1 C6 C7 C8 -178.1(3) . . . . ?
C11 C6 C7 C12 179.0(3) . . . . ?
N1 C6 C7 C12 0.0(4) . . . . ?
C6 C7 C8 C9 0.7(5) . . . . ?
C12 C7 C8 C9 -177.4(4) . . . . ?
C7 C8 C9 C10 -1.1(6) . . . . ?
C8 C9 C10 C11 0.0(5) . . . . ?
C7 C6 C11 C10 -1.9(4) . . . . ?
N1 C6 C11 C10 177.0(2) . . . . ?
C7 C6 C11 C14 178.9(4) . . . . ?
N1 C6 C11 C14 -2.2(4) . . . . ?
C9 C10 C11 C6 1.5(5) . . . . ?
C9 C10 C11 C14 -179.3(4) . . . . ?
C6 C7 C12 C13 128.3(4) . . . . ?
C8 C7 C12 C13 -53.6(5) . . . . ?
C6 C11 C14 C15 153.4(6) . . . . ?
C10 C11 C14 C15 -25.8(8) . . . . ?
C4 N2 C16 C21 -94.3(3) . . . . ?
Cu1 N2 C16 C21 82.8(3) . . . . ?
C4 N2 C16 C17 84.3(3) . . . . ?
Cu1 N2 C16 C17 -98.6(2) . . . . ?
C21 C16 C17 C18 1.1(4) . . . . ?
N2 C16 C17 C18 -177.4(2) . . . . ?
C21 C16 C17 C22 178.1(3) . . . . ?
N2 C16 C17 C22 -0.4(4) . . . . ?
C16 C17 C18 C19 -0.4(4) . . . . ?
C22 C17 C18 C19 -177.4(3) . . . . ?
C17 C18 C19 C20 -0.4(5) . . . . ?
C18 C19 C20 C21 0.6(5) . . . . ?
C17 C16 C21 C20 -1.0(4) . . . . ?
N2 C16 C21 C20 177.5(3) . . . . ?
C17 C16 C21 C24 179.0(4) . . . . ?
N2 C16 C21 C24 -2.5(5) . . . . ?
C19 C20 C21 C16 0.1(5) . . . . ?
C19 C20 C21 C24 -179.8(4) . . . . ?
C18 C17 C22 C23 -25.9(5) . . . . ?
C16 C17 C22 C23 157.2(3) . . . . ?
C16 C21 C24 C25' 146(4) . . . . ?
C20 C21 C24 C25' -34(4) . . . . ?
C16 C21 C24 C25 -143.7(15) . . . . ?
C20 C21 C24 C25 36.2(16) . . . . ?
