#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:19:04 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180332 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/01/7200157.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_7200157
loop_
_publ_author_name
'Liu, Guang-Xiang'
'Huang, Rong-Yi'
'Huang, Liang-Fang'
'Kong, Xue-Jun'
'Ren, Xiao-Ming'
_publ_section_title
;
 Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped
 tetracarboxylate ligands and N-donor ancillary ligands: syntheses,
 structures and properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              643
_journal_paper_doi               10.1039/b806297h
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C29 H16 Cu F6 N2 O8, 1.54(H2 O)'
_chemical_formula_sum            'C29 H19.08 Cu F6 N2 O9.54'
_chemical_formula_weight         725.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.6241(10)
_cell_length_b                   15.4069(19)
_cell_length_c                   25.531(3)
_cell_measurement_reflns_used    3384
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.29
_cell_measurement_theta_min      2.64
_cell_volume                     2999.0(6)
_computing_cell_refinement       'SAINT-PLUS, Ver. 6.0, 1997'
_computing_data_collection       'SMART, 1998'
_computing_data_reduction        'SAINT-PLUS, Ver. 6.0, 1997'
_computing_molecular_graphics    'XP, Ver. 6.10, Bruker AXS Inc., 2000'
_computing_publication_material  'SHELXTL-Bruker AXS Inc., 1998'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            15098
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.825
_exptl_absorpt_correction_T_max  0.8933
_exptl_absorpt_correction_T_min  0.8142
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1465
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.326
_refine_diff_density_rms         0.051
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.010(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         5310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0391
_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)+(0.0279P)²+0.3915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0788
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                4527
_reflns_number_total             5310
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b806297h.txt
_cod_data_source_block           CCDC004
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 
;
_cod_database_code               7200157
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -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 -0.02437(5) 0.23607(3) 0.693467(15) 0.02887(12) Uani 1 1 d . . .
O1 O 0.1378(3) 0.15166(15) 0.66444(9) 0.0329(6) Uani 1 1 d . . .
O2 O 0.3553(3) 0.24533(15) 0.64787(9) 0.0358(6) Uani 1 1 d . . .
O3 O 0.6160(4) 0.13634(16) 0.70815(9) 0.0360(6) Uani 1 1 d . . .
O4 O 0.8008(3) 0.18596(16) 0.64686(9) 0.0344(6) Uani 1 1 d . . .
O5 O 0.7207(4) -0.14427(16) 0.29651(10) 0.0501(8) Uani 1 1 d . . .
H5 H 0.7658 -0.1394 0.2675 0.075 Uiso 1 1 calc R . .
O6 O 0.6485(4) -0.00701(19) 0.28309(11) 0.0624(9) Uani 1 1 d . . .
O7 O 0.7694(4) 0.09732(17) 0.37035(15) 0.0607(9) Uani 1 1 d . . .
H7 H 0.7966 0.1483 0.3661 0.091 Uiso 1 1 calc R . .
O8 O 0.5007(4) 0.15198(16) 0.36922(10) 0.0467(7) Uani 1 1 d . . .
O1W O 0.559(10) 0.250(2) 0.4735(9) 0.71(5) Uani 0.58(5) 1 d P A 1
O2W O 0.278(8) 0.2337(14) 0.4733(6) 0.59(4) Uani 0.96(5) 1 d P B 2
N1 N -0.1789(4) 0.32558(18) 0.72504(11) 0.0313(7) Uani 1 1 d . . .
N2 N 0.1251(4) 0.2695(2) 0.75500(10) 0.0323(7) Uani 1 1 d . . .
C1 C 0.2860(5) 0.1727(2) 0.64548(13) 0.0262(8) Uani 1 1 d . . .
C2 C 0.3828(5) 0.1027(2) 0.61621(12) 0.0232(8) Uani 1 1 d . . .
C3 C 0.2930(5) 0.0495(2) 0.58175(12) 0.0243(8) Uani 1 1 d . . .
H3 H 0.1712 0.0523 0.5802 0.029 Uiso 1 1 calc R . .
C4 C 0.3826(5) -0.0082(2) 0.54943(12) 0.0240(8) Uani 1 1 d . . .
C5 C 0.5647(5) -0.0114(2) 0.55274(13) 0.0281(9) Uani 1 1 d . . .
H5A H 0.6264 -0.0495 0.5314 0.034 Uiso 1 1 calc R . .
C6 C 0.6552(5) 0.0412(2) 0.58718(13) 0.0281(8) Uani 1 1 d . . .
H6 H 0.7770 0.0386 0.5886 0.034 Uiso 1 1 calc R . .
C7 C 0.5646(4) 0.0984(2) 0.61996(12) 0.0225(8) Uani 1 1 d . . .
C8 C 0.6669(5) 0.1448(2) 0.66209(13) 0.0243(8) Uani 1 1 d . . .
C9 C 0.6501(5) -0.0712(2) 0.30989(14) 0.0346(8) Uani 1 1 d . . .
C10 C 0.5652(5) -0.0728(2) 0.36302(12) 0.0293(9) Uani 1 1 d . . .
C11 C 0.5043(6) -0.1503(2) 0.38359(12) 0.0341(9) Uani 1 1 d . . .
H11 H 0.5229 -0.2015 0.3652 0.041 Uiso 1 1 calc R . .
C12 C 0.4163(5) -0.1530(2) 0.43111(13) 0.0310(9) Uani 1 1 d . . .
H12 H 0.3763 -0.2058 0.4441 0.037 Uiso 1 1 calc R . .
C13 C 0.3875(5) -0.0773(2) 0.45929(12) 0.0257(8) Uani 1 1 d . . .
C14 C 0.4463(5) 0.0008(2) 0.43845(12) 0.0297(8) Uani 1 1 d . . .
H14 H 0.4254 0.0521 0.4566 0.036 Uiso 1 1 calc R . .
C15 C 0.5357(5) 0.0036(2) 0.39112(12) 0.0279(8) Uani 1 1 d . . .
C16 C 0.5991(5) 0.0910(2) 0.37423(14) 0.0341(9) Uani 1 1 d . . .
C17 C 0.0993(5) -0.0502(3) 0.50035(16) 0.0478(12) Uani 1 1 d . . .
C18 C 0.2908(5) -0.0733(2) 0.51238(13) 0.0283(8) Uani 1 1 d . . .
C19 C 0.2939(6) -0.1616(2) 0.54100(14) 0.0395(10) Uani 1 1 d . . .
C20 C -0.3315(5) 0.3520(2) 0.70574(16) 0.0430(11) Uani 1 1 d . . .
H20 H -0.3797 0.3217 0.6777 0.052 Uiso 1 1 calc R . .
C21 C -0.4216(6) 0.4225(3) 0.72533(17) 0.0526(12) Uani 1 1 d . . .
H21 H -0.5285 0.4391 0.7109 0.063 Uiso 1 1 calc R . .
C22 C -0.3509(6) 0.4673(3) 0.76630(17) 0.0520(12) Uani 1 1 d . . .
H22 H -0.4095 0.5148 0.7804 0.062 Uiso 1 1 calc R . .
C23 C -0.1925(6) 0.4415(2) 0.78648(15) 0.0444(11) Uani 1 1 d . . .
H23 H -0.1422 0.4720 0.8141 0.053 Uiso 1 1 calc R . .
C24 C -0.1080(5) 0.3704(2) 0.76573(13) 0.0294(8) Uani 1 1 d . . .
C25 C 0.0629(5) 0.3373(2) 0.78264(13) 0.0305(9) Uani 1 1 d . . .
C26 C 0.1554(6) 0.3692(3) 0.82521(15) 0.0501(12) Uani 1 1 d . . .
H26 H 0.1114 0.4158 0.8443 0.060 Uiso 1 1 calc R . .
C27 C 0.3111(7) 0.3320(3) 0.83916(17) 0.0595(13) Uani 1 1 d . . .
H27 H 0.3746 0.3535 0.8674 0.071 Uiso 1 1 calc R . .
C28 C 0.3725(5) 0.2631(3) 0.81126(15) 0.0525(11) Uani 1 1 d . . .
H28 H 0.4776 0.2365 0.8204 0.063 Uiso 1 1 calc R . .
C29 C 0.2768(5) 0.2337(3) 0.76947(14) 0.0436(10) Uani 1 1 d . . .
H29 H 0.3194 0.1868 0.7504 0.052 Uiso 1 1 calc R . .
F1 F 0.0346(3) -0.09970(18) 0.46226(10) 0.0701(8) Uani 1 1 d . . .
F2 F 0.0852(3) 0.03188(18) 0.48466(9) 0.0607(7) Uani 1 1 d . . .
F3 F -0.0072(3) -0.06002(17) 0.54171(10) 0.0676(8) Uani 1 1 d . . .
F4 F 0.1969(3) -0.22248(15) 0.51803(9) 0.0610(7) Uani 1 1 d . . .
F5 F 0.2348(4) -0.15404(15) 0.59023(8) 0.0627(8) Uani 1 1 d . . .
F6 F 0.4553(4) -0.19379(13) 0.54451(8) 0.0501(6) 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
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 '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'
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'
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 O4 86.39(10) . 1_455 ?
O1 Cu1 N1 176.82(12) . . ?
O4 Cu1 N1 96.74(12) 1_455 . ?
O1 Cu1 N2 96.27(12) . . ?
O4 Cu1 N2 165.61(12) 1_455 . ?
N1 Cu1 N2 80.84(12) . . ?
O1 Cu1 O8 100.32(10) . 3_456 ?
O4 Cu1 O8 86.03(10) 1_455 3_456 ?
N1 Cu1 O8 79.38(11) . 3_456 ?
N2 Cu1 O8 107.29(11) . 3_456 ?
C1 O1 Cu1 122.7(2) . . ?
C8 O4 Cu1 124.4(2) . 1_655 ?
C9 O5 H5 109.5 . . ?
C16 O7 H7 109.5 . . ?
C16 O8 Cu1 133.6(3) . 3_556 ?
C20 N1 C24 118.4(3) . . ?
C20 N1 Cu1 125.6(3) . . ?
C24 N1 Cu1 115.3(2) . . ?
C29 N2 C25 118.8(3) . . ?
C29 N2 Cu1 127.1(3) . . ?
C25 N2 Cu1 114.1(2) . . ?
O2 C1 O1 126.2(3) . . ?
O2 C1 C2 117.5(3) . . ?
O1 C1 C2 116.2(3) . . ?
C3 C2 C7 120.6(3) . . ?
C3 C2 C1 119.8(3) . . ?
C7 C2 C1 119.3(3) . . ?
C2 C3 C4 120.8(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C5 118.4(3) . . ?
C3 C4 C18 123.7(3) . . ?
C5 C4 C18 117.8(3) . . ?
C6 C5 C4 121.1(3) . . ?
C6 C5 H5A 119.4 . . ?
C4 C5 H5A 119.4 . . ?
C5 C6 C7 120.3(3) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C2 C7 C6 118.8(3) . . ?
C2 C7 C8 122.8(3) . . ?
C6 C7 C8 118.1(3) . . ?
O3 C8 O4 126.5(3) . . ?
O3 C8 C7 117.6(3) . . ?
O4 C8 C7 115.9(3) . . ?
O6 C9 O5 124.7(3) . . ?
O6 C9 C10 121.5(3) . . ?
O5 C9 C10 113.8(3) . . ?
C11 C10 C15 118.6(3) . . ?
C11 C10 C9 120.0(3) . . ?
C15 C10 C9 121.3(3) . . ?
C10 C11 C12 121.3(3) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C11 C12 C13 120.3(3) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 118.6(3) . . ?
C12 C13 C18 124.4(3) . . ?
C14 C13 C18 117.1(3) . . ?
C15 C14 C13 121.3(3) . . ?
C15 C14 H14 119.4 . . ?
C13 C14 H14 119.4 . . ?
C14 C15 C10 120.0(3) . . ?
C14 C15 C16 116.0(3) . . ?
C10 C15 C16 124.0(3) . . ?
O8 C16 O7 123.5(4) . . ?
O8 C16 C15 122.0(4) . . ?
O7 C16 C15 114.3(3) . . ?
F2 C17 F1 107.1(4) . . ?
F2 C17 F3 107.2(3) . . ?
F1 C17 F3 106.6(3) . . ?
F2 C17 C18 111.0(3) . . ?
F1 C17 C18 111.5(3) . . ?
F3 C17 C18 113.1(3) . . ?
C17 C18 C13 106.7(3) . . ?
C17 C18 C19 108.3(3) . . ?
C13 C18 C19 111.9(3) . . ?
C17 C18 C4 113.8(3) . . ?
C13 C18 C4 110.3(3) . . ?
C19 C18 C4 106.0(3) . . ?
F6 C19 F4 106.3(3) . . ?
F6 C19 F5 106.3(3) . . ?
F4 C19 F5 106.7(3) . . ?
F6 C19 C18 112.0(3) . . ?
F4 C19 C18 113.8(3) . . ?
F5 C19 C18 111.2(3) . . ?
N1 C20 C21 122.9(4) . . ?
N1 C20 H20 118.5 . . ?
C21 C20 H20 118.5 . . ?
C22 C21 C20 118.7(4) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
C21 C22 C23 119.3(4) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C24 119.8(4) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
N1 C24 C23 120.8(3) . . ?
N1 C24 C25 113.7(3) . . ?
C23 C24 C25 125.4(3) . . ?
N2 C25 C26 120.5(4) . . ?
N2 C25 C24 115.4(3) . . ?
C26 C25 C24 124.1(4) . . ?
C27 C26 C25 119.9(4) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.3(4) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 118.9(4) . . ?
C27 C28 H28 120.6 . . ?
C29 C28 H28 120.6 . . ?
N2 C29 C28 122.7(4) . . ?
N2 C29 H29 118.6 . . ?
C28 C29 H29 118.6 . . ?
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 1.941(2) . ?
Cu1 O4 1.947(2) 1_455 ?
Cu1 N1 1.985(3) . ?
Cu1 N2 2.008(3) . ?
Cu1 O8 2.361(2) 3_456 ?
O1 C1 1.271(4) . ?
O2 C1 1.239(4) . ?
O3 C8 1.245(4) . ?
O4 C8 1.263(4) . ?
O4 Cu1 1.947(2) 1_655 ?
O5 C9 1.293(4) . ?
O5 H5 0.8200 . ?
O6 C9 1.203(4) . ?
O7 C16 1.305(5) . ?
O7 H7 0.8200 . ?
O8 C16 1.209(4) . ?
O8 Cu1 2.361(2) 3_556 ?
N1 C20 1.328(5) . ?
N1 C24 1.359(4) . ?
N2 C29 1.334(5) . ?
N2 C25 1.347(4) . ?
C1 C2 1.506(5) . ?
C2 C3 1.384(5) . ?
C2 C7 1.391(5) . ?
C3 C4 1.392(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.392(5) . ?
C4 C18 1.546(5) . ?
C5 C6 1.380(5) . ?
C5 H5A 0.9300 . ?
C6 C7 1.397(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.509(5) . ?
C9 C10 1.503(5) . ?
C10 C11 1.384(5) . ?
C10 C15 1.397(4) . ?
C11 C12 1.387(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.388(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(5) . ?
C13 C18 1.544(5) . ?
C14 C15 1.388(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.494(5) . ?
C17 F2 1.331(5) . ?
C17 F1 1.331(4) . ?
C17 F3 1.341(4) . ?
C17 C18 1.534(6) . ?
C18 C19 1.545(5) . ?
C19 F6 1.329(5) . ?
C19 F4 1.331(4) . ?
C19 F5 1.340(4) . ?
C20 C21 1.379(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.364(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.372(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.465(5) . ?
C25 C26 1.385(5) . ?
C26 C27 1.366(6) . ?
C26 H26 0.9300 . ?
C27 C28 1.361(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.370(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
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
O4 Cu1 O1 C1 127.5(3) 1_455 . . . ?
N1 Cu1 O1 C1 -42(2) . . . . ?
N2 Cu1 O1 C1 -66.7(3) . . . . ?
O8 Cu1 O1 C1 42.2(3) 3_456 . . . ?
O1 Cu1 N1 C20 153(2) . . . . ?
O4 Cu1 N1 C20 -16.5(3) 1_455 . . . ?
N2 Cu1 N1 C20 177.8(3) . . . . ?
O8 Cu1 N1 C20 68.1(3) 3_456 . . . ?
O1 Cu1 N1 C24 -18(2) . . . . ?
O4 Cu1 N1 C24 172.8(2) 1_455 . . . ?
N2 Cu1 N1 C24 7.1(3) . . . . ?
O8 Cu1 N1 C24 -102.6(3) 3_456 . . . ?
O1 Cu1 N2 C29 -5.5(3) . . . . ?
O4 Cu1 N2 C29 94.4(5) 1_455 . . . ?
N1 Cu1 N2 C29 175.8(3) . . . . ?
O8 Cu1 N2 C29 -108.4(3) 3_456 . . . ?
O1 Cu1 N2 C25 172.4(2) . . . . ?
O4 Cu1 N2 C25 -87.6(5) 1_455 . . . ?
N1 Cu1 N2 C25 -6.3(3) . . . . ?
O8 Cu1 N2 C25 69.5(3) 3_456 . . . ?
Cu1 O1 C1 O2 8.5(5) . . . . ?
Cu1 O1 C1 C2 -169.8(2) . . . . ?
O2 C1 C2 C3 -135.4(3) . . . . ?
O1 C1 C2 C3 43.1(5) . . . . ?
O2 C1 C2 C7 37.8(5) . . . . ?
O1 C1 C2 C7 -143.8(3) . . . . ?
C7 C2 C3 C4 -1.3(5) . . . . ?
C1 C2 C3 C4 171.8(3) . . . . ?
C2 C3 C4 C5 0.3(5) . . . . ?
C2 C3 C4 C18 176.3(3) . . . . ?
C3 C4 C5 C6 0.0(5) . . . . ?
C18 C4 C5 C6 -176.2(3) . . . . ?
C4 C5 C6 C7 0.7(5) . . . . ?
C3 C2 C7 C6 1.9(5) . . . . ?
C1 C2 C7 C6 -171.2(3) . . . . ?
C3 C2 C7 C8 -170.7(3) . . . . ?
C1 C2 C7 C8 16.2(5) . . . . ?
C5 C6 C7 C2 -1.6(5) . . . . ?
C5 C6 C7 C8 171.4(3) . . . . ?
Cu1 O4 C8 O3 7.2(5) 1_655 . . . ?
Cu1 O4 C8 C7 -170.0(2) 1_655 . . . ?
C2 C7 C8 O3 48.8(5) . . . . ?
C6 C7 C8 O3 -123.9(4) . . . . ?
C2 C7 C8 O4 -133.8(4) . . . . ?
C6 C7 C8 O4 53.5(4) . . . . ?
O6 C9 C10 C11 153.5(4) . . . . ?
O5 C9 C10 C11 -25.9(5) . . . . ?
O6 C9 C10 C15 -22.4(6) . . . . ?
O5 C9 C10 C15 158.2(3) . . . . ?
C15 C10 C11 C12 -0.2(6) . . . . ?
C9 C10 C11 C12 -176.2(3) . . . . ?
C10 C11 C12 C13 -0.2(6) . . . . ?
C11 C12 C13 C14 1.0(5) . . . . ?
C11 C12 C13 C18 179.9(3) . . . . ?
C12 C13 C14 C15 -1.5(5) . . . . ?
C18 C13 C14 C15 179.5(3) . . . . ?
C13 C14 C15 C10 1.2(5) . . . . ?
C13 C14 C15 C16 -177.3(3) . . . . ?
C11 C10 C15 C14 -0.3(5) . . . . ?
C9 C10 C15 C14 175.6(3) . . . . ?
C11 C10 C15 C16 178.0(4) . . . . ?
C9 C10 C15 C16 -6.1(6) . . . . ?
Cu1 O8 C16 O7 47.8(6) 3_556 . . . ?
Cu1 O8 C16 C15 -138.9(3) 3_556 . . . ?
C14 C15 C16 O8 -56.5(5) . . . . ?
C10 C15 C16 O8 125.1(4) . . . . ?
C14 C15 C16 O7 117.3(4) . . . . ?
C10 C15 C16 O7 -61.0(5) . . . . ?
F2 C17 C18 C13 -71.1(4) . . . . ?
F1 C17 C18 C13 48.3(5) . . . . ?
F3 C17 C18 C13 168.4(3) . . . . ?
F2 C17 C18 C19 168.4(3) . . . . ?
F1 C17 C18 C19 -72.3(4) . . . . ?
F3 C17 C18 C19 47.9(4) . . . . ?
F2 C17 C18 C4 50.9(4) . . . . ?
F1 C17 C18 C4 170.2(3) . . . . ?
F3 C17 C18 C4 -69.6(4) . . . . ?
C12 C13 C18 C17 -95.7(4) . . . . ?
C14 C13 C18 C17 83.2(4) . . . . ?
C12 C13 C18 C19 22.5(5) . . . . ?
C14 C13 C18 C19 -158.6(3) . . . . ?
C12 C13 C18 C4 140.2(4) . . . . ?
C14 C13 C18 C4 -40.9(4) . . . . ?
C3 C4 C18 C17 19.0(5) . . . . ?
C5 C4 C18 C17 -165.0(4) . . . . ?
C3 C4 C18 C13 138.9(3) . . . . ?
C5 C4 C18 C13 -45.1(4) . . . . ?
C3 C4 C18 C19 -99.9(4) . . . . ?
C5 C4 C18 C19 76.2(4) . . . . ?
C17 C18 C19 F6 168.7(3) . . . . ?
C13 C18 C19 F6 51.4(4) . . . . ?
C4 C18 C19 F6 -68.9(3) . . . . ?
C17 C18 C19 F4 48.0(4) . . . . ?
C13 C18 C19 F4 -69.3(4) . . . . ?
C4 C18 C19 F4 170.4(3) . . . . ?
C17 C18 C19 F5 -72.5(4) . . . . ?
C13 C18 C19 F5 170.2(3) . . . . ?
C4 C18 C19 F5 49.9(4) . . . . ?
C24 N1 C20 C21 -0.4(6) . . . . ?
Cu1 N1 C20 C21 -170.9(3) . . . . ?
N1 C20 C21 C22 0.2(7) . . . . ?
C20 C21 C22 C23 0.4(7) . . . . ?
C21 C22 C23 C24 -0.8(7) . . . . ?
C20 N1 C24 C23 0.0(5) . . . . ?
Cu1 N1 C24 C23 171.5(3) . . . . ?
C20 N1 C24 C25 -178.0(3) . . . . ?
Cu1 N1 C24 C25 -6.6(4) . . . . ?
C22 C23 C24 N1 0.6(6) . . . . ?
C22 C23 C24 C25 178.4(4) . . . . ?
C29 N2 C25 C26 0.1(5) . . . . ?
Cu1 N2 C25 C26 -178.0(3) . . . . ?
C29 N2 C25 C24 -177.4(3) . . . . ?
Cu1 N2 C25 C24 4.5(4) . . . . ?
N1 C24 C25 N2 1.3(4) . . . . ?
C23 C24 C25 N2 -176.7(4) . . . . ?
N1 C24 C25 C26 -176.0(4) . . . . ?
C23 C24 C25 C26 6.0(6) . . . . ?
N2 C25 C26 C27 0.4(6) . . . . ?
C24 C25 C26 C27 177.6(4) . . . . ?
C25 C26 C27 C28 -0.8(7) . . . . ?
C26 C27 C28 C29 0.8(7) . . . . ?
C25 N2 C29 C28 -0.1(6) . . . . ?
Cu1 N2 C29 C28 177.7(3) . . . . ?
C27 C28 C29 N2 -0.3(7) . . . . ?
