#------------------------------------------------------------------------------
#$Date: 2018-01-26 11:30:02 +0200 (Fri, 26 Jan 2018) $
#$Revision: 205752 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/02/7000293.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_7000293
loop_
_publ_author_name
'Lee, Young Hoon'
'Harrowfield, Jack M.'
'Kim, Jong Seung'
'Kim, Yang'
'Lee, Min Hee'
'Lim, Woo Taik'
'Park, Yu Cheol'
'Thuéry, Pierre'
_publ_section_title
;
 Functionalised azetidines as ligands: species derived by selective
 alkylation at substituent-nitrogen
;
_journal_issue                   3
_journal_name_full               'Dalton Transactions'
_journal_page_first              443
_journal_page_last               454
_journal_paper_doi               10.1039/b812298a
_journal_year                    2009
_chemical_formula_sum            'C36 H45 Cl Cu2 F12 N6 O2 P2'
_chemical_formula_weight         1046.26
_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                100.04(3)
_cell_angle_beta                 104.44(3)
_cell_angle_gamma                104.47(3)
_cell_formula_units_Z            2
_cell_length_a                   11.499(2)
_cell_length_b                   13.853(3)
_cell_length_c                   15.187(3)
_cell_measurement_reflns_used    53762
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.37
_cell_measurement_theta_min      1.55
_cell_volume                     2195.1(10)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1999)'
_computing_publication_material
'SHELXTL (Sheldrick, 1999); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.888
_diffrn_measurement_device_type  'ADSC Quantum 210'
_diffrn_measurement_method       'two φ and two ω scans with 2° steps'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Synchrotron Radiation'
_diffrn_radiation_type           'Synchrotron Radiation'
_diffrn_radiation_wavelength     0.76999
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7576
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.37
_diffrn_reflns_theta_min         1.55
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.194
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'pale green'
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.087
_refine_diff_density_min         -0.870
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       0.0097(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         7576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0912
_refine_ls_R_factor_gt           0.0711
_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)+(0.1343P)²+1.6496P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2059
_refine_ls_wR_factor_ref         0.2218
_reflns_number_gt                5512
_reflns_number_total             7576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b812298a.txt
_cod_data_source_block           yk0632
_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 

2017-12-10
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         523.13
_cod_original_formula_units_Z            4
_cod_original_cell_volume        2195.0(8)
_cod_original_formula_sum        'C18 H22.50 Cl0.50 Cu F6 N3 O P'
_cod_database_code               7000293
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 0.26443(6) 0.42549(5) 0.34886(5) 0.0574(2) Uani 1 1 d . . .
Cu2 Cu 0.11491(6) 0.05263(5) 0.20311(4) 0.0589(2) Uani 1 1 d . . .
Cl1 Cl 0.18309(14) 0.23890(9) 0.27666(11) 0.0748(4) Uani 1 1 d . . .
O1 O 0.3912(3) 0.4416(3) 0.4686(2) 0.0634(9) Uani 1 1 d . . .
H38 H 0.4665 0.4955 0.4918 0.076 Uiso 1 1 calc R . .
O2 O -0.0115(3) 0.0318(2) 0.0788(2) 0.0492(7) Uani 1 1 d . . .
H39 H -0.0191 -0.0158 0.0247 0.059 Uiso 1 1 calc R . .
N1 N 0.3938(4) 0.4490(3) 0.2818(3) 0.0645(11) Uani 1 1 d . . .
N2 N 0.1562(6) 0.4845(4) 0.2641(4) 0.0868(17) Uani 1 1 d . . .
N3 N 0.1271(5) 0.4077(4) 0.4138(4) 0.0766(14) Uani 1 1 d . . .
N4 N 0.2567(4) 0.0672(3) 0.1475(4) 0.0678(13) Uani 1 1 d . . .
N5 N 0.2019(7) -0.0062(4) 0.3009(5) 0.105(2) Uani 1 1 d . . .
N6 N -0.0218(5) 0.0340(4) 0.2651(3) 0.0789(15) Uani 1 1 d . . .
H6 H -0.0044 0.0953 0.3070 0.095 Uiso 1 1 calc R . .
C1 C 0.3612(5) 0.3680(4) 0.5155(4) 0.0625(13) Uani 1 1 d . . .
C2 C 0.4350(6) 0.3056(5) 0.5347(5) 0.0855(19) Uani 1 1 d . . .
H2 H 0.5075 0.3141 0.5162 0.103 Uiso 1 1 calc R . .
C3 C 0.4032(10) 0.2305(7) 0.5809(7) 0.126(4) Uani 1 1 d . . .
H3 H 0.4546 0.1892 0.5935 0.101 Uiso 1 1 calc R . .
C4 C 0.2999(13) 0.2164(9) 0.6076(8) 0.151(5) Uani 1 1 d . . .
H4 H 0.2799 0.1661 0.6394 0.102 Uiso 1 1 calc R . .
C5 C 0.2235(9) 0.2757(8) 0.5883(6) 0.118(3) Uani 1 1 d . . .
H5 H 0.1505 0.2643 0.6062 0.102 Uiso 1 1 calc R . .
C6 C 0.2522(6) 0.3552(5) 0.5412(4) 0.0771(17) Uani 1 1 d . . .
C7 C 0.1723(7) 0.4209(6) 0.5163(5) 0.094(2) Uani 1 1 d . . .
H7A H 0.1003 0.4036 0.5395 0.103 Uiso 1 1 calc R . .
H7B H 0.2203 0.4925 0.5466 0.103 Uiso 1 1 calc R . .
C8 C 0.0539(7) 0.4749(7) 0.3871(6) 0.105(3) Uani 1 1 d . . .
H8A H 0.0993 0.5454 0.4230 0.106 Uiso 1 1 calc R . .
H8B H -0.0261 0.4543 0.3998 0.106 Uiso 1 1 calc R . .
C9 C 0.0319(7) 0.4672(7) 0.2848(7) 0.113(3) Uani 1 1 d . . .
H9A H -0.0068 0.5185 0.2669 0.106 Uiso 1 1 calc R . .
H9B H -0.0249 0.3996 0.2486 0.106 Uiso 1 1 calc R . .
C10 C 0.2405(8) 0.5910(5) 0.2760(5) 0.104(3) Uani 1 1 d . . .
H10A H 0.3086 0.6174 0.3350 0.105 Uiso 1 1 calc R . .
H10B H 0.1955 0.6405 0.2649 0.105 Uiso 1 1 calc R . .
C11 C 0.2808(10) 0.5473(5) 0.1916(5) 0.110(3) Uani 1 1 d . . .
C12 C 0.1579(8) 0.4588(5) 0.1650(5) 0.104(3) Uani 1 1 d . . .
H12A H 0.0877 0.4682 0.1202 0.105 Uiso 1 1 calc R . .
H12B H 0.1668 0.3913 0.1450 0.105 Uiso 1 1 calc R . .
C13 C 0.2894(14) 0.6143(7) 0.1229(6) 0.168(6) Uani 1 1 d . . .
H13A H 0.3145 0.5819 0.0727 0.102 Uiso 1 1 calc R . .
H13B H 0.3505 0.6804 0.1549 0.102 Uiso 1 1 calc R . .
H13C H 0.2085 0.6231 0.0976 0.102 Uiso 1 1 calc R . .
C14 C 0.3942(8) 0.5055(5) 0.2185(4) 0.090(2) Uani 1 1 d . . .
C15 C 0.4892(12) 0.5187(7) 0.1783(7) 0.130(4) Uani 1 1 d . . .
H15 H 0.4924 0.5610 0.1371 0.106 Uiso 1 1 calc R . .
C16 C 0.5779(12) 0.4712(10) 0.1973(9) 0.149(5) Uani 1 1 d . . .
H16 H 0.6407 0.4801 0.1682 0.109 Uiso 1 1 calc R . .
C17 C 0.5770(7) 0.4087(7) 0.2602(6) 0.106(3) Uani 1 1 d . . .
H17 H 0.6368 0.3745 0.2736 0.107 Uiso 1 1 calc R . .
C18 C 0.4829(6) 0.4008(5) 0.3007(4) 0.0741(16) Uani 1 1 d . . .
H18 H 0.4796 0.3603 0.3434 0.089 Uiso 1 1 calc R . .
C19 C -0.0850(4) 0.0945(4) 0.0819(3) 0.0479(10) Uani 1 1 d . . .
C20 C -0.0860(5) 0.1659(4) 0.0294(4) 0.0647(13) Uani 1 1 d . . .
H20 H -0.0408 0.1688 -0.0135 0.078 Uiso 1 1 calc R . .
C21 C -0.1547(7) 0.2333(6) 0.0410(6) 0.094(2) Uani 1 1 d . . .
H21 H -0.1543 0.2821 0.0059 0.103 Uiso 1 1 calc R . .
C22 C -0.2226(7) 0.2302(7) 0.1019(7) 0.112(3) Uani 1 1 d . . .
H22 H -0.2686 0.2760 0.1085 0.104 Uiso 1 1 calc R . .
C23 C -0.2228(6) 0.1602(7) 0.1528(6) 0.099(3) Uani 1 1 d . . .
H23 H -0.2694 0.1589 0.1949 0.109 Uiso 1 1 calc R . .
C24 C -0.1550(5) 0.0883(5) 0.1452(4) 0.0683(15) Uani 1 1 d . . .
C25 C -0.1531(6) 0.0125(5) 0.2008(5) 0.084(2) Uani 1 1 d . . .
H25A H -0.1811 -0.0561 0.1594 0.101 Uiso 1 1 calc R . .
H25B H -0.2106 0.0153 0.2377 0.101 Uiso 1 1 calc R . .
C26 C -0.0057(11) -0.0410(6) 0.3216(5) 0.134(4) Uani 1 1 d . . .
H26A H -0.0360 -0.1103 0.2811 0.101 Uiso 1 1 calc R . .
H26B H -0.0529 -0.0381 0.3662 0.101 Uiso 1 1 calc R . .
C27 C 0.1335(12) -0.0127(8) 0.3726(6) 0.149(5) Uani 1 1 d . . .
H27A H 0.1615 0.0530 0.4187 0.109 Uiso 1 1 calc R . .
H27B H 0.1502 -0.0646 0.4050 0.109 Uiso 1 1 calc R . .
C28 C 0.2207(8) -0.0986(5) 0.2443(7) 0.126(4) Uani 1 1 d . . .
H28A H 0.1610 -0.1257 0.1815 0.102 Uiso 1 1 calc R . .
H28B H 0.2245 -0.1529 0.2764 0.102 Uiso 1 1 calc R . .
C29 C 0.3523(7) -0.0303(6) 0.2475(8) 0.133(4) Uani 1 1 d . . .
C30 C 0.3426(8) 0.0409(6) 0.3360(6) 0.127(4) Uani 1 1 d . . .
H30A H 0.3820 0.0274 0.3950 0.103 Uiso 1 1 calc R . .
H30B H 0.3708 0.1138 0.3388 0.103 Uiso 1 1 calc R . .
C31 C 0.4573(10) -0.0805(8) 0.2668(12) 0.237(9) Uani 1 1 d . . .
H31A H 0.4536 -0.1120 0.3179 0.106 Uiso 1 1 calc R . .
H31B H 0.5378 -0.0289 0.2829 0.106 Uiso 1 1 calc R . .
H31C H 0.4465 -0.1320 0.2116 0.106 Uiso 1 1 calc R . .
C32 C 0.3496(6) 0.0233(5) 0.1681(6) 0.096(3) Uani 1 1 d . . .
C33 C 0.4436(8) 0.0409(8) 0.1226(9) 0.134(5) Uani 1 1 d . . .
H33 H 0.5074 0.0104 0.1350 0.101 Uiso 1 1 calc R . .
C34 C 0.4425(8) 0.0995(10) 0.0634(10) 0.140(5) Uani 1 1 d . . .
H34 H 0.5048 0.1091 0.0339 0.108 Uiso 1 1 calc R . .
C35 C 0.3529(6) 0.1456(6) 0.0447(6) 0.100(3) Uani 1 1 d . . .
H35 H 0.3539 0.1888 0.0042 0.120 Uiso 1 1 calc R . .
C36 C 0.2599(5) 0.1275(5) 0.0868(4) 0.0667(14) Uani 1 1 d . . .
H36 H 0.1964 0.1581 0.0730 0.080 Uiso 1 1 calc R . .
P1 P 0.2438(2) 0.79464(15) 0.55709(14) 0.0905(6) Uani 1 1 d . . .
P2 P 0.14490(18) 0.33421(14) -0.11394(13) 0.0833(5) Uani 1 1 d . . .
F1 F 0.1394(6) 0.7560(5) 0.4593(4) 0.151(2) Uani 1 1 d . . .
F2 F 0.3393(7) 0.8471(7) 0.5113(5) 0.184(3) Uani 1 1 d . . .
F3 F 0.2899(8) 0.6949(5) 0.5310(6) 0.201(4) Uani 1 1 d . . .
F4 F 0.1550(8) 0.7318(8) 0.5995(6) 0.244(5) Uani 1 1 d . . .
F5 F 0.3477(6) 0.8322(5) 0.6545(4) 0.158(2) Uani 1 1 d . . .
F6 F 0.2088(9) 0.8919(6) 0.5781(6) 0.210(4) Uani 1 1 d . . .
F7 F 0.0540(10) 0.3050(6) -0.2164(4) 0.225(4) Uani 1 1 d . . .
F8 F 0.0972(6) 0.2168(4) -0.1122(4) 0.1410(19) Uani 1 1 d . . .
F9 F 0.2457(8) 0.3042(6) -0.1524(7) 0.206(4) Uani 1 1 d . . .
F10 F 0.2230(9) 0.3544(8) -0.0136(5) 0.234(4) Uani 1 1 d . . .
F11 F 0.0400(8) 0.3558(6) -0.0772(7) 0.200(3) Uani 1 1 d . . .
F12 F 0.1843(8) 0.4480(4) -0.1180(6) 0.187(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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Cu Cu 0.3201 1.2651 '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'
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
O1 Cu1 N2 150.0(2) . . ?
O1 Cu1 N1 92.64(17) . . ?
N2 Cu1 N1 91.4(2) . . ?
O1 Cu1 N3 89.85(19) . . ?
N2 Cu1 N3 85.2(3) . . ?
N1 Cu1 N3 176.4(2) . . ?
O1 Cu1 Cl1 105.05(13) . . ?
N2 Cu1 Cl1 104.38(16) . . ?
N1 Cu1 Cl1 93.60(14) . . ?
N3 Cu1 Cl1 88.30(15) . . ?
N5 Cu2 O2 149.7(2) . . ?
N5 Cu2 N4 91.0(3) . . ?
O2 Cu2 N4 92.26(16) . . ?
N5 Cu2 N6 85.3(3) . . ?
O2 Cu2 N6 90.87(18) . . ?
N4 Cu2 N6 176.3(2) . . ?
N5 Cu2 Cl1 104.45(18) . . ?
O2 Cu2 Cl1 105.56(11) . . ?
N4 Cu2 Cl1 92.13(13) . . ?
N6 Cu2 Cl1 88.86(15) . . ?
Cu1 Cl1 Cu2 176.35(7) . . ?
C1 O1 Cu1 115.4(3) . . ?
C19 O2 Cu2 112.8(3) . . ?
C14 N1 C18 119.6(6) . . ?
C14 N1 Cu1 124.1(5) . . ?
C18 N1 Cu1 116.2(4) . . ?
C12 N2 C10 88.4(6) . . ?
C12 N2 C9 119.9(6) . . ?
C10 N2 C9 121.4(6) . . ?
C12 N2 Cu1 113.5(4) . . ?
C10 N2 Cu1 103.6(4) . . ?
C9 N2 Cu1 108.2(5) . . ?
C8 N3 C7 113.2(6) . . ?
C8 N3 Cu1 107.4(5) . . ?
C7 N3 Cu1 115.4(4) . . ?
C36 N4 C32 118.6(6) . . ?
C36 N4 Cu2 116.5(3) . . ?
C32 N4 Cu2 124.8(6) . . ?
C27 N5 C30 117.4(7) . . ?
C27 N5 C28 123.2(7) . . ?
C30 N5 C28 88.1(7) . . ?
C27 N5 Cu2 108.9(6) . . ?
C30 N5 Cu2 114.2(5) . . ?
C28 N5 Cu2 103.3(4) . . ?
C26 N6 C25 115.3(6) . . ?
C26 N6 Cu2 107.4(6) . . ?
C25 N6 Cu2 115.3(3) . . ?
O1 C1 C2 121.2(5) . . ?
O1 C1 C6 118.6(6) . . ?
C2 C1 C6 120.2(6) . . ?
C1 C2 C3 120.9(8) . . ?
C4 C3 C2 120.8(10) . . ?
C3 C4 C5 119.9(8) . . ?
C4 C5 C6 121.8(8) . . ?
C1 C6 C5 116.5(8) . . ?
C1 C6 C7 118.8(6) . . ?
C5 C6 C7 124.6(7) . . ?
N3 C7 C6 111.7(5) . . ?
N3 C8 C9 108.2(6) . . ?
C8 C9 N2 109.4(6) . . ?
N2 C10 C11 88.5(5) . . ?
C13 C11 C12 115.9(7) . . ?
C13 C11 C10 114.6(7) . . ?
C12 C11 C10 85.4(7) . . ?
C13 C11 C14 114.3(9) . . ?
C12 C11 C14 109.3(5) . . ?
C10 C11 C14 114.1(6) . . ?
N2 C12 C11 89.5(5) . . ?
N1 C14 C15 119.3(8) . . ?
N1 C14 C11 116.8(7) . . ?
C15 C14 C11 123.8(8) . . ?
C16 C15 C14 121.0(9) . . ?
C15 C16 C17 120.9(9) . . ?
C18 C17 C16 115.8(9) . . ?
N1 C18 C17 123.3(7) . . ?
O2 C19 C20 121.9(4) . . ?
O2 C19 C24 117.4(5) . . ?
C20 C19 C24 120.6(5) . . ?
C19 C20 C21 119.4(6) . . ?
C22 C21 C20 121.7(8) . . ?
C23 C22 C21 119.2(7) . . ?
C22 C23 C24 122.7(7) . . ?
C19 C24 C23 116.4(6) . . ?
C19 C24 C25 120.2(5) . . ?
C23 C24 C25 123.4(6) . . ?
C24 C25 N6 110.0(4) . . ?
N6 C26 C27 107.1(6) . . ?
N5 C27 C26 107.5(6) . . ?
N5 C28 C29 89.6(6) . . ?
C32 C29 C31 114.2(11) . . ?
C32 C29 C28 114.3(6) . . ?
C31 C29 C28 114.7(8) . . ?
C32 C29 C30 110.8(5) . . ?
C31 C29 C30 115.4(9) . . ?
C28 C29 C30 84.0(8) . . ?
N5 C30 C29 89.3(6) . . ?
N4 C32 C33 118.1(8) . . ?
N4 C32 C29 116.2(8) . . ?
C33 C32 C29 125.2(7) . . ?
C34 C33 C32 121.2(8) . . ?
C33 C34 C35 121.0(10) . . ?
C34 C35 C36 118.3(10) . . ?
N4 C36 C35 122.7(6) . . ?
F6 P1 F4 96.5(7) . . ?
F6 P1 F2 90.4(5) . . ?
F4 P1 F2 173.1(6) . . ?
F6 P1 F5 89.5(4) . . ?
F4 P1 F5 89.4(4) . . ?
F2 P1 F5 90.5(4) . . ?
F6 P1 F1 90.9(4) . . ?
F4 P1 F1 90.3(4) . . ?
F2 P1 F1 89.7(4) . . ?
F5 P1 F1 179.5(4) . . ?
F6 P1 F3 175.4(6) . . ?
F4 P1 F3 88.1(6) . . ?
F2 P1 F3 85.0(5) . . ?
F5 P1 F3 90.3(4) . . ?
F1 P1 F3 89.3(4) . . ?
F10 P2 F11 87.6(5) . . ?
F10 P2 F9 93.1(5) . . ?
F11 P2 F9 175.9(5) . . ?
F10 P2 F12 95.1(5) . . ?
F11 P2 F12 87.6(4) . . ?
F9 P2 F12 96.4(4) . . ?
F10 P2 F7 174.5(6) . . ?
F11 P2 F7 89.4(6) . . ?
F9 P2 F7 89.6(5) . . ?
F12 P2 F7 89.4(5) . . ?
F10 P2 F8 86.9(5) . . ?
F11 P2 F8 90.4(4) . . ?
F9 P2 F8 85.6(4) . . ?
F12 P2 F8 177.1(4) . . ?
F7 P2 F8 88.5(4) . . ?
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 O1 1.964(3) . ?
Cu1 N2 1.987(5) . ?
Cu1 N1 1.996(5) . ?
Cu1 N3 2.048(5) . ?
Cu1 Cl1 2.4598(16) . ?
Cu2 N5 1.989(5) . ?
Cu2 O2 1.997(3) . ?
Cu2 N4 1.998(5) . ?
Cu2 N6 2.011(5) . ?
Cu2 Cl1 2.4633(16) . ?
O1 C1 1.366(6) . ?
O2 C19 1.358(5) . ?
N1 C14 1.341(7) . ?
N1 C18 1.358(8) . ?
N2 C12 1.491(10) . ?
N2 C10 1.501(9) . ?
N2 C9 1.509(10) . ?
N3 C8 1.446(9) . ?
N3 C7 1.476(9) . ?
N4 C36 1.348(8) . ?
N4 C32 1.354(7) . ?
N5 C27 1.496(13) . ?
N5 C30 1.500(11) . ?
N5 C28 1.507(11) . ?
N6 C26 1.476(9) . ?
N6 C25 1.504(9) . ?
C1 C2 1.372(9) . ?
C1 C6 1.383(8) . ?
C2 C3 1.379(10) . ?
C3 C4 1.329(16) . ?
C4 C5 1.360(16) . ?
C5 C6 1.429(11) . ?
C6 C7 1.477(11) . ?
C8 C9 1.492(12) . ?
C10 C11 1.547(12) . ?
C11 C13 1.518(10) . ?
C11 C12 1.530(12) . ?
C11 C14 1.547(13) . ?
C14 C15 1.368(13) . ?
C15 C16 1.347(16) . ?
C16 C17 1.397(16) . ?
C17 C18 1.362(9) . ?
C19 C20 1.375(7) . ?
C19 C24 1.400(7) . ?
C20 C21 1.382(9) . ?
C21 C22 1.351(12) . ?
C22 C23 1.341(13) . ?
C23 C24 1.417(10) . ?
C24 C25 1.458(9) . ?
C26 C27 1.509(15) . ?
C28 C29 1.555(13) . ?
C29 C32 1.520(14) . ?
C29 C31 1.531(10) . ?
C29 C30 1.569(14) . ?
C32 C33 1.417(15) . ?
C33 C34 1.312(16) . ?
C34 C35 1.341(14) . ?
C35 C36 1.371(9) . ?
P1 F6 1.505(7) . ?
P1 F4 1.515(7) . ?
P1 F2 1.541(6) . ?
P1 F5 1.557(5) . ?
P1 F1 1.564(5) . ?
P1 F3 1.621(7) . ?
P2 F10 1.500(7) . ?
P2 F11 1.521(6) . ?
P2 F9 1.534(7) . ?
P2 F12 1.544(6) . ?
P2 F7 1.560(7) . ?
P2 F8 1.588(5) . ?
