#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/06/7150644.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_7150644
loop_
_publ_author_name
'Fleming, William J.'
'Müller-Bunz, Helge'
'Lillo, Vanesa'
'Fernández, Elena'
'Guiry, Patrick J.'
_publ_section_title
;
 Axially chiral P-N ligands for the copper catalyzed β-borylation of
 α,β-unsaturated esters
;
_journal_issue                   12
_journal_name_full               'Organic & Biomolecular Chemistry'
_journal_page_first              2520
_journal_page_last               2524
_journal_paper_doi               10.1039/b900741e
_journal_volume                  7
_journal_year                    2009
_chemical_formula_moiety         'C66 H52 N4 P2 Cl4 Cu2'
_chemical_formula_sum            'C66 H52 Cl4 Cu2 N4 P2'
_chemical_formula_weight         1231.94
_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                114.885(2)
_cell_angle_beta                 100.794(2)
_cell_angle_gamma                96.372(2)
_cell_formula_units_Z            1
_cell_length_a                   10.7093(9)
_cell_length_b                   12.0684(11)
_cell_length_c                   13.4541(12)
_cell_measurement_reflns_used    3902
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.49
_cell_measurement_theta_min      2.44
_cell_volume                     1514.0(2)
_computing_cell_refinement       'Bruker SAINT'
_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      293(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0228
_diffrn_reflns_av_sigmaI/netI    0.0312
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9554
_diffrn_reflns_theta_full        22.51
_diffrn_reflns_theta_max         22.51
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.975
_exptl_absorpt_correction_T_max  0.8675
_exptl_absorpt_correction_T_min  0.6626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) for selected reflections was 0.039 before and 0.019 after
correction. The Ratio of minimum to maximum transmission is 0.763759.
The λ/2 correction factor is 0.0015
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.391
_refine_diff_density_min         -0.474
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         3953
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0666
_refine_ls_R_factor_gt           0.0535
_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)+(0.0869P)²+1.5760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1572
_reflns_number_gt                3204
_reflns_number_total             3953
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b900741e.txt
_cod_data_source_block           c:\data\gui42\rechnung\gui42
_cod_original_formula_sum        'C66 H52 N4 P2 Cl4 Cu2'
_cod_database_code               7150644
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
C1 C 0.0467(4) 0.7999(4) 0.7975(4) 0.0441(12) Uani 1 1 d . . .
C2 C -0.0759(5) 0.8322(5) 0.7846(5) 0.0571(14) Uani 1 1 d . . .
H2 H -0.0859 0.8967 0.7652 0.069 Uiso 1 1 calc R . .
C3 C -0.1788(5) 0.7718(5) 0.7996(5) 0.0594(15) Uani 1 1 d . . .
H3 H -0.2583 0.7953 0.7899 0.071 Uiso 1 1 calc R . .
C4 C -0.1690(4) 0.6761(4) 0.8292(4) 0.0461(12) Uani 1 1 d . . .
C5 C -0.2756(5) 0.6134(5) 0.8487(5) 0.0579(14) Uani 1 1 d . . .
H5 H -0.3547 0.6381 0.8423 0.069 Uiso 1 1 calc R . .
C6 C -0.2643(5) 0.5198(5) 0.8759(5) 0.0601(15) Uani 1 1 d . . .
H6 H -0.3350 0.4810 0.8890 0.072 Uiso 1 1 calc R . .
C7 C -0.1468(5) 0.4798(5) 0.8848(5) 0.0571(14) Uani 1 1 d . . .
H7 H -0.1408 0.4129 0.9015 0.069 Uiso 1 1 calc R . .
C8 C -0.0406(5) 0.5385(4) 0.8692(4) 0.0480(12) Uani 1 1 d . . .
H8 H 0.0374 0.5120 0.8765 0.058 Uiso 1 1 calc R . .
C9 C -0.0481(4) 0.6385(4) 0.8422(4) 0.0399(11) Uani 1 1 d . . .
C10 C 0.0602(4) 0.7049(4) 0.8274(4) 0.0398(11) Uani 1 1 d . . .
C11 C 0.1878(4) 0.6679(4) 0.8476(4) 0.0424(12) Uani 1 1 d . . .
C12 C 0.3311(5) 0.5411(5) 0.7832(6) 0.0615(15) Uani 1 1 d . . .
C13 C 0.3597(7) 0.4443(7) 0.6809(7) 0.092(2) Uani 1 1 d . . .
H13 H 0.4358 0.4160 0.7072 0.110 Uiso 1 1 calc R . .
C14 C 0.2551(9) 0.3347(10) 0.6125(9) 0.149(4) Uani 1 1 d . . .
H14A H 0.2302 0.2991 0.6595 0.223 Uiso 1 1 calc R . .
H14B H 0.2843 0.2742 0.5532 0.223 Uiso 1 1 calc R . .
H14C H 0.1817 0.3585 0.5797 0.223 Uiso 1 1 calc R . .
C15 C 0.3982(12) 0.5088(12) 0.6091(10) 0.171(5) Uani 1 1 d . . .
H15A H 0.3868 0.4468 0.5325 0.257 Uiso 1 1 calc R . .
H15B H 0.4877 0.5523 0.6409 0.257 Uiso 1 1 calc R . .
H15C H 0.3440 0.5672 0.6097 0.257 Uiso 1 1 calc R . .
C16 C 0.3823(5) 0.6725(6) 0.9711(5) 0.0598(15) Uani 1 1 d . . .
C17 C 0.4683(6) 0.7188(8) 1.0810(7) 0.088(2) Uani 1 1 d . . .
H17 H 0.5455 0.6916 1.0909 0.106 Uiso 1 1 calc R . .
C18 C 0.4350(8) 0.8032(7) 1.1706(7) 0.089(2) Uani 1 1 d . . .
Cl1 Cl 0.5398(3) 0.8549(3) 1.3032(2) 0.1514(11) Uani 1 1 d . . .
C19 C 0.3290(8) 0.8497(7) 1.1597(6) 0.089(2) Uani 1 1 d . . .
H19 H 0.3119 0.9103 1.2234 0.107 Uiso 1 1 calc R . .
C20 C 0.2444(6) 0.8083(6) 1.0540(6) 0.0761(18) Uani 1 1 d . . .
H20 H 0.1696 0.8399 1.0475 0.091 Uiso 1 1 calc R . .
C21 C 0.2698(5) 0.7203(5) 0.9579(4) 0.0486(12) Uani 1 1 d . . .
N1 N 0.2156(4) 0.5795(4) 0.7602(4) 0.0539(11) Uani 1 1 d . . .
N2 N 0.4113(4) 0.5824(5) 0.8837(5) 0.0705(14) Uani 1 1 d . . .
C22 C 0.1228(5) 1.0120(5) 0.7628(4) 0.0480(12) Uani 1 1 d . . .
C23 C 0.1390(6) 1.1248(5) 0.8551(5) 0.0741(18) Uani 1 1 d . . .
H23 H 0.1882 1.1387 0.9256 0.089 Uiso 1 1 calc R . .
C24 C 0.0837(8) 1.2169(6) 0.8447(6) 0.099(3) Uani 1 1 d . . .
H24 H 0.0942 1.2924 0.9088 0.119 Uiso 1 1 calc R . .
C25 C 0.0142(9) 1.2011(7) 0.7437(7) 0.099(2) Uani 1 1 d . . .
H25 H -0.0193 1.2665 0.7374 0.119 Uiso 1 1 calc R . .
C26 C -0.0068(9) 1.0897(7) 0.6516(6) 0.105(3) Uani 1 1 d . . .
H26 H -0.0573 1.0770 0.5819 0.126 Uiso 1 1 calc R . .
C27 C 0.0470(7) 0.9951(6) 0.6611(5) 0.081(2) Uani 1 1 d . . .
H27 H 0.0318 0.9183 0.5975 0.098 Uiso 1 1 calc R . .
C28 C 0.2038(5) 0.7867(5) 0.6429(4) 0.0529(13) Uani 1 1 d . . .
C29 C 0.1062(6) 0.6904(6) 0.5587(5) 0.0723(17) Uani 1 1 d . . .
H29 H 0.0284 0.6713 0.5750 0.087 Uiso 1 1 calc R . .
C30 C 0.1199(8) 0.6233(6) 0.4537(5) 0.086(2) Uani 1 1 d . . .
H30 H 0.0523 0.5592 0.3985 0.103 Uiso 1 1 calc R . .
C31 C 0.2313(9) 0.6497(8) 0.4299(6) 0.098(2) Uani 1 1 d . . .
H31 H 0.2411 0.6017 0.3579 0.117 Uiso 1 1 calc R . .
C32 C 0.3293(9) 0.7426(9) 0.5058(7) 0.112(3) Uani 1 1 d . . .
H32 H 0.4043 0.7615 0.4854 0.134 Uiso 1 1 calc R . .
C33 C 0.3185(7) 0.8137(7) 0.6196(6) 0.090(2) Uani 1 1 d . . .
H33 H 0.3874 0.8758 0.6752 0.108 Uiso 1 1 calc R . .
Cl2 Cl 0.44331(12) 1.11230(13) 1.09712(12) 0.0630(4) Uani 1 1 d . . .
Cu Cu 0.36397(6) 0.95280(6) 0.91952(5) 0.0531(3) Uani 1 1 d . . .
P P 0.18753(12) 0.88708(11) 0.78269(10) 0.0428(3) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 '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
C10 C1 C2 118.4(4) . . ?
C10 C1 P 120.4(3) . . ?
C2 C1 P 121.1(4) . . ?
C3 C2 C1 121.6(5) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C2 C3 C4 121.5(5) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C3 C4 C9 119.4(4) . . ?
C3 C4 C5 122.5(4) . . ?
C9 C4 C5 118.1(5) . . ?
C6 C5 C4 121.5(5) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 120.5(5) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C8 C7 C6 120.4(5) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 120.7(5) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C4 118.8(4) . . ?
C8 C9 C10 123.1(4) . . ?
C4 C9 C10 118.1(4) . . ?
C1 C10 C9 120.9(4) . . ?
C1 C10 C11 122.0(4) . . ?
C9 C10 C11 117.1(4) . . ?
N1 C11 C21 122.0(4) . . ?
N1 C11 C10 117.9(4) . . ?
C21 C11 C10 120.0(4) . . ?
N2 C12 N1 125.5(5) . . ?
N2 C12 C13 120.3(5) . . ?
N1 C12 C13 114.2(6) . . ?
C14 C13 C12 114.8(6) . . ?
C14 C13 C15 111.1(9) . . ?
C12 C13 C15 107.8(7) . . ?
C14 C13 H13 107.6 . . ?
C12 C13 H13 107.6 . . ?
C15 C13 H13 107.6 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 C21 122.4(5) . . ?
N2 C16 C17 118.1(6) . . ?
C21 C16 C17 119.5(7) . . ?
C18 C17 C16 118.4(7) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C19 C18 C17 122.8(7) . . ?
C19 C18 Cl1 120.0(7) . . ?
C17 C18 Cl1 117.2(7) . . ?
C18 C19 C20 120.3(8) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C19 C20 C21 120.7(7) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C20 C21 C11 125.3(5) . . ?
C20 C21 C16 118.2(5) . . ?
C11 C21 C16 116.4(5) . . ?
C11 N1 C12 116.5(5) . . ?
C12 N2 C16 117.2(5) . . ?
C23 C22 C27 117.5(5) . . ?
C23 C22 P 119.0(4) . . ?
C27 C22 P 123.1(4) . . ?
C24 C23 C22 120.6(6) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C23 121.4(6) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 119.5(6) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 H25 120.2 . . ?
C25 C26 C27 119.7(7) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C22 C27 C26 121.2(6) . . ?
C22 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C33 C28 C29 118.9(5) . . ?
C33 C28 P 116.7(5) . . ?
C29 C28 P 124.3(4) . . ?
C30 C29 C28 122.2(7) . . ?
C30 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
C31 C30 C29 119.2(7) . . ?
C31 C30 H30 120.4 . . ?
C29 C30 H30 120.4 . . ?
C30 C31 C32 122.3(7) . . ?
C30 C31 H31 118.9 . . ?
C32 C31 H31 118.9 . . ?
C31 C32 C33 119.6(7) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
C28 C33 C32 117.7(7) . . ?
C28 C33 H33 121.2 . . ?
C32 C33 H33 121.2 . . ?
Cu Cl2 Cu 83.66(5) . 2_677 ?
P Cu Cl2 137.36(5) . . ?
P Cu Cl2 125.35(5) . 2_677 ?
Cl2 Cu Cl2 96.34(5) . 2_677 ?
P Cu Cu 169.82(5) . 2_677 ?
Cl2 Cu Cu 48.69(4) . 2_677 ?
Cl2 Cu Cu 47.65(4) 2_677 2_677 ?
C28 P C22 103.0(2) . . ?
C28 P C1 104.2(2) . . ?
C22 P C1 102.4(2) . . ?
C28 P Cu 115.29(18) . . ?
C22 P Cu 113.91(17) . . ?
C1 P Cu 116.31(16) . . ?
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
C1 C10 1.378(7) . ?
C1 C2 1.411(7) . ?
C1 P 1.833(5) . ?
C2 C3 1.348(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(7) . ?
C3 H3 0.9300 . ?
C4 C9 1.423(7) . ?
C4 C5 1.425(7) . ?
C5 C6 1.337(8) . ?
C5 H5 0.9300 . ?
C6 C7 1.400(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.371(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.404(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.429(6) . ?
C10 C11 1.497(6) . ?
C11 N1 1.325(6) . ?
C11 C21 1.404(7) . ?
C12 N2 1.311(8) . ?
C12 N1 1.395(7) . ?
C12 C13 1.496(9) . ?
C13 C14 1.453(12) . ?
C13 C15 1.555(12) . ?
C13 H13 0.9800 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N2 1.340(8) . ?
C16 C21 1.406(8) . ?
C16 C17 1.424(9) . ?
C17 C18 1.351(11) . ?
C17 H17 0.9300 . ?
C18 C19 1.331(11) . ?
C18 Cl1 1.729(7) . ?
C19 C20 1.382(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.383(8) . ?
C20 H20 0.9300 . ?
C22 C23 1.368(7) . ?
C22 C27 1.373(8) . ?
C22 P 1.824(5) . ?
C23 C24 1.361(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.345(10) . ?
C24 H24 0.9300 . ?
C25 C26 1.349(10) . ?
C25 H25 0.9300 . ?
C26 C27 1.376(9) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C33 1.361(8) . ?
C28 C29 1.380(8) . ?
C28 P 1.814(5) . ?
C29 C30 1.347(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.331(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.332(11) . ?
C31 H31 0.9300 . ?
C32 C33 1.441(10) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
Cl2 Cu 2.2677(15) . ?
Cl2 Cu 2.3049(14) 2_677 ?
Cu P 2.1735(14) . ?
Cu Cl2 2.3048(14) 2_677 ?
Cu Cu 3.0496(12) 2_677 ?
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
C10 C1 C2 C3 -0.6(8) . . . . ?
P C1 C2 C3 -177.4(4) . . . . ?
C1 C2 C3 C4 0.4(9) . . . . ?
C2 C3 C4 C9 -1.1(8) . . . . ?
C2 C3 C4 C5 178.2(5) . . . . ?
C3 C4 C5 C6 179.2(5) . . . . ?
C9 C4 C5 C6 -1.5(8) . . . . ?
C4 C5 C6 C7 -0.7(8) . . . . ?
C5 C6 C7 C8 2.0(8) . . . . ?
C6 C7 C8 C9 -1.0(8) . . . . ?
C7 C8 C9 C4 -1.2(7) . . . . ?
C7 C8 C9 C10 178.6(4) . . . . ?
C3 C4 C9 C8 -178.2(5) . . . . ?
C5 C4 C9 C8 2.4(7) . . . . ?
C3 C4 C9 C10 2.0(7) . . . . ?
C5 C4 C9 C10 -177.4(4) . . . . ?
C2 C1 C10 C9 1.5(7) . . . . ?
P C1 C10 C9 178.3(3) . . . . ?
C2 C1 C10 C11 -177.4(5) . . . . ?
P C1 C10 C11 -0.7(6) . . . . ?
C8 C9 C10 C1 178.0(4) . . . . ?
C4 C9 C10 C1 -2.2(7) . . . . ?
C8 C9 C10 C11 -3.0(6) . . . . ?
C4 C9 C10 C11 176.8(4) . . . . ?
C1 C10 C11 N1 -90.8(6) . . . . ?
C9 C10 C11 N1 90.2(5) . . . . ?
C1 C10 C11 C21 93.6(6) . . . . ?
C9 C10 C11 C21 -85.4(5) . . . . ?
N2 C12 C13 C14 126.9(8) . . . . ?
N1 C12 C13 C14 -52.9(9) . . . . ?
N2 C12 C13 C15 -108.6(8) . . . . ?
N1 C12 C13 C15 71.5(8) . . . . ?
N2 C16 C17 C18 -175.4(6) . . . . ?
C21 C16 C17 C18 3.4(9) . . . . ?
C16 C17 C18 C19 -3.7(11) . . . . ?
C16 C17 C18 Cl1 178.6(5) . . . . ?
C17 C18 C19 C20 2.8(12) . . . . ?
Cl1 C18 C19 C20 -179.6(5) . . . . ?
C18 C19 C20 C21 -1.5(10) . . . . ?
C19 C20 C21 C11 177.0(5) . . . . ?
C19 C20 C21 C16 1.3(9) . . . . ?
N1 C11 C21 C20 -176.7(5) . . . . ?
C10 C11 C21 C20 -1.2(8) . . . . ?
N1 C11 C21 C16 -0.9(7) . . . . ?
C10 C11 C21 C16 174.5(4) . . . . ?
N2 C16 C21 C20 176.5(5) . . . . ?
C17 C16 C21 C20 -2.3(8) . . . . ?
N2 C16 C21 C11 0.4(8) . . . . ?
C17 C16 C21 C11 -178.4(5) . . . . ?
C21 C11 N1 C12 -0.2(7) . . . . ?
C10 C11 N1 C12 -175.8(4) . . . . ?
N2 C12 N1 C11 2.2(8) . . . . ?
C13 C12 N1 C11 -178.0(5) . . . . ?
N1 C12 N2 C16 -2.7(8) . . . . ?
C13 C12 N2 C16 177.5(5) . . . . ?
C21 C16 N2 C12 1.3(8) . . . . ?
C17 C16 N2 C12 -179.9(5) . . . . ?
C27 C22 C23 C24 -1.4(10) . . . . ?
P C22 C23 C24 -175.1(6) . . . . ?
C22 C23 C24 C25 -1.4(13) . . . . ?
C23 C24 C25 C26 3.2(14) . . . . ?
C24 C25 C26 C27 -2.3(14) . . . . ?
C23 C22 C27 C26 2.3(11) . . . . ?
P C22 C27 C26 175.8(6) . . . . ?
C25 C26 C27 C22 -0.5(13) . . . . ?
C33 C28 C29 C30 -0.9(10) . . . . ?
P C28 C29 C30 175.7(5) . . . . ?
C28 C29 C30 C31 0.4(11) . . . . ?
C29 C30 C31 C32 -1.6(13) . . . . ?
C30 C31 C32 C33 3.3(14) . . . . ?
C29 C28 C33 C32 2.5(10) . . . . ?
P C28 C33 C32 -174.4(6) . . . . ?
C31 C32 C33 C28 -3.7(13) . . . . ?
Cu Cl2 Cu P -168.53(8) 2_677 . . . ?
Cu Cl2 Cu Cl2 0.0 2_677 . . 2_677 ?
C33 C28 P C22 88.7(5) . . . . ?
C29 C28 P C22 -88.1(5) . . . . ?
C33 C28 P C1 -164.7(5) . . . . ?
C29 C28 P C1 18.6(6) . . . . ?
C33 C28 P Cu -36.0(6) . . . . ?
C29 C28 P Cu 147.3(5) . . . . ?
C23 C22 P C28 -157.8(5) . . . . ?
C27 C22 P C28 28.8(6) . . . . ?
C23 C22 P C1 94.2(5) . . . . ?
C27 C22 P C1 -79.2(5) . . . . ?
C23 C22 P Cu -32.2(5) . . . . ?
C27 C22 P Cu 154.4(5) . . . . ?
C10 C1 P C28 80.5(4) . . . . ?
C2 C1 P C28 -102.8(4) . . . . ?
C10 C1 P C22 -172.4(4) . . . . ?
C2 C1 P C22 4.3(5) . . . . ?
C10 C1 P Cu -47.6(4) . . . . ?
C2 C1 P Cu 129.1(4) . . . . ?
Cl2 Cu P C28 158.7(2) . . . . ?
Cl2 Cu P C28 -7.3(2) 2_677 . . . ?
Cu Cu P C28 36.4(4) 2_677 . . . ?
Cl2 Cu P C22 39.9(2) . . . . ?
Cl2 Cu P C22 -126.11(18) 2_677 . . . ?
Cu Cu P C22 -82.4(3) 2_677 . . . ?
Cl2 Cu P C1 -78.91(19) . . . . ?
Cl2 Cu P C1 115.12(18) 2_677 . . . ?
Cu Cu P C1 158.8(3) 2_677 . . . ?
