#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:52:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179159 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/20/4312097.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_4312097
loop_
_publ_author_name
'Alicia Cuevas'
'Raúl Chiozzone'
'Carlos Kremer'
'Leopoldo Suescun'
'Alvaro Mombrú'
'Donatella Armentano'
'Giovanni De Munno'
'Francesc Lloret'
'Juan Cano'
'Juan Faus'
_publ_section_title
;
 Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato
 Ligand. Synthesis, Crystal Structure, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7823
_journal_page_last               7831
_journal_paper_doi               10.1021/ic0493853
_journal_volume                  43
_journal_year                    2004
_chemical_formula_moiety         'C27 H18 Cl4 Cu N4 O4 Re, C2 H3 N'
_chemical_formula_sum            'C29 H21 Cl4 Cu N5 O4 Re'
_chemical_formula_weight         895.05
_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                98.560(7)
_cell_angle_beta                 115.970(8)
_cell_angle_gamma                96.180(9)
_cell_formula_units_Z            2
_cell_length_a                   10.1199(13)
_cell_length_b                   17.8635(14)
_cell_length_c                   9.5576(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      16.08
_cell_measurement_theta_min      14.66
_cell_volume                     1506.7(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Software, 1993'
_computing_data_collection       'MSC/AFC Diffractometer Software, 1993'
_computing_data_reduction        'MSC/AFC Diffractometer Software, 1993'
_computing_molecular_graphics    'ZORTEP (Zsolnai & Pritzkow, 1995)'
_computing_publication_material
'PLATON (Spek, 1990) and CSD (Allen & Kennard,1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC-7S'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8079
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.119
_exptl_absorpt_correction_T_max  0.9045
_exptl_absorpt_correction_T_min  0.5139
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'MSC/AFC Diffractometer Software, 1993'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.878
_refine_diff_density_min         -1.375
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     398
_refine_ls_number_reflns         6900
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0704
_refine_ls_R_factor_gt           0.0415
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0548P)²+0.1912P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1075
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                5114
_reflns_number_total             6900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0493853si20040517_113146_3.cif
_cod_data_source_block           comp2
_cod_database_code               4312097
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
Re1 Re -0.05604(3) 0.715728(14) 0.87060(3) 0.03066(9) Uani 1 1 d . . .
Cl1 Cl -0.31703(19) 0.68463(11) 0.7683(2) 0.0470(4) Uani 1 1 d . . .
Cl2 Cl -0.0711(2) 0.71149(11) 0.6169(2) 0.0498(4) Uani 1 1 d . . .
Cl3 Cl -0.0296(2) 0.58626(10) 0.8554(2) 0.0470(4) Uani 1 1 d . . .
Cl4 Cl -0.0634(2) 0.84871(10) 0.9045(2) 0.0472(4) Uani 1 1 d . . .
O1 O 0.1720(5) 0.7451(3) 0.9671(5) 0.0390(10) Uani 1 1 d . . .
O2 O -0.0292(5) 0.7177(3) 1.0913(5) 0.0361(10) Uani 1 1 d . . .
C1 C 0.2625(7) 0.7855(4) 1.1085(8) 0.0363(13) Uani 1 1 d . . .
C2 C 0.2063(8) 0.8083(4) 1.2296(8) 0.0447(16) Uani 1 1 d . . .
H2A H 0.2911 0.8221 1.3354 0.054 Uiso 1 1 calc R . .
H2B H 0.1626 0.8537 1.2092 0.054 Uiso 1 1 calc R . .
C3 C 0.0910(8) 0.7457(4) 1.2275(8) 0.0400(15) Uani 1 1 d . . .
O3 O 0.3962(5) 0.8051(3) 1.1478(6) 0.0430(11) Uani 1 1 d . . .
O4 O 0.1081(7) 0.7256(4) 1.3497(6) 0.0583(15) Uani 1 1 d . . .
Cu1 Cu 0.45684(9) 0.73312(4) 0.97555(9) 0.03621(18) Uani 1 1 d . . .
N11 N 0.3433(6) 0.6449(3) 0.7814(6) 0.0334(11) Uani 1 1 d . . .
N12 N 0.4489(6) 0.6498(3) 1.0916(6) 0.0362(12) Uani 1 1 d . . .
C11 C 0.2964(8) 0.6425(4) 0.6269(8) 0.0415(15) Uani 1 1 d . . .
H11 H 0.3168 0.6876 0.5960 0.050 Uiso 1 1 calc R . .
C12 C 0.2178(9) 0.5753(5) 0.5090(8) 0.0478(17) Uani 1 1 d . . .
H12 H 0.1890 0.5759 0.4025 0.057 Uiso 1 1 calc R . .
C13 C 0.1831(8) 0.5085(4) 0.5505(9) 0.0451(16) Uani 1 1 d . . .
H13 H 0.1290 0.4638 0.4724 0.054 Uiso 1 1 calc R . .
C14 C 0.2302(8) 0.5080(4) 0.7131(8) 0.0373(14) Uani 1 1 d . . .
C15 C 0.1985(9) 0.4427(4) 0.7696(9) 0.0473(17) Uani 1 1 d . . .
H15 H 0.1415 0.3971 0.6960 0.057 Uiso 1 1 calc R . .
C16 C 0.2480(9) 0.4444(4) 0.9261(9) 0.0475(17) Uani 1 1 d . . .
H16 H 0.2256 0.4003 0.9589 0.057 Uiso 1 1 calc R . .
C17 C 0.3366(8) 0.5151(4) 1.0436(8) 0.0373(14) Uani 1 1 d . . .
C18 C 0.3914(9) 0.5218(4) 1.2068(9) 0.0473(17) Uani 1 1 d . . .
H18 H 0.3727 0.4796 1.2464 0.057 Uiso 1 1 calc R . .
C19 C 0.4739(9) 0.5915(4) 1.3101(9) 0.0484(18) Uani 1 1 d . . .
H19 H 0.5119 0.5969 1.4198 0.058 Uiso 1 1 calc R . .
C110 C 0.4989(8) 0.6537(4) 1.2463(8) 0.0413(15) Uani 1 1 d . . .
H110 H 0.5537 0.7006 1.3164 0.050 Uiso 1 1 calc R . .
C111 C 0.3680(7) 0.5810(3) 0.9917(7) 0.0295(12) Uani 1 1 d . . .
C112 C 0.3121(7) 0.5780(4) 0.8233(7) 0.0327(12) Uani 1 1 d . . .
N21 N 0.6695(6) 0.7978(3) 1.1255(6) 0.0334(11) Uani 1 1 d . . .
N22 N 0.4421(6) 0.8214(3) 0.8663(7) 0.0381(12) Uani 1 1 d . . .
C21 C 0.7786(8) 0.7865(4) 1.2578(8) 0.0416(15) Uani 1 1 d . . .
H21 H 0.7696 0.7387 1.2838 0.050 Uiso 1 1 calc R . .
C22 C 0.9060(8) 0.8425(4) 1.3602(9) 0.0456(17) Uani 1 1 d . . .
H22 H 0.9766 0.8334 1.4554 0.055 Uiso 1 1 calc R . .
C23 C 0.9249(8) 0.9111(5) 1.3174(9) 0.0471(17) Uani 1 1 d . . .
H23 H 1.0109 0.9485 1.3818 0.057 Uiso 1 1 calc R . .
C24 C 0.8134(8) 0.9251(4) 1.1751(8) 0.0382(14) Uani 1 1 d . . .
C25 C 0.8262(9) 0.9936(4) 1.1178(10) 0.0525(19) Uani 1 1 d . . .
H25 H 0.9128 1.0313 1.1743 0.063 Uiso 1 1 calc R . .
C26 C 0.7145(10) 1.0043(4) 0.9833(10) 0.0519(19) Uani 1 1 d . . .
H26 H 0.7246 1.0497 0.9492 0.062 Uiso 1 1 calc R . .
C27 C 0.5797(9) 0.9464(4) 0.8914(8) 0.0412(15) Uani 1 1 d . . .
C28 C 0.4563(9) 0.9550(4) 0.7545(10) 0.0500(18) Uani 1 1 d . . .
H28 H 0.4600 0.9995 0.7156 0.060 Uiso 1 1 calc R . .
C29 C 0.3308(9) 0.8984(5) 0.6781(10) 0.0503(18) Uani 1 1 d . . .
H29 H 0.2494 0.9039 0.5866 0.060 Uiso 1 1 calc R . .
C210 C 0.3255(8) 0.8320(4) 0.7385(9) 0.0439(16) Uani 1 1 d . . .
H210 H 0.2384 0.7943 0.6882 0.053 Uiso 1 1 calc R . .
C211 C 0.5658(8) 0.8779(4) 0.9431(8) 0.0359(13) Uani 1 1 d . . .
C212 C 0.6877(7) 0.8668(4) 1.0862(8) 0.0336(13) Uani 1 1 d . . .
N31 N 0.7350(12) 0.9927(6) 0.6060(13) 0.097(3) Uani 1 1 d . . .
C31 C 0.6928(10) 0.9290(6) 0.5822(10) 0.059(2) Uani 1 1 d . . .
C32 C 0.6356(11) 0.8471(5) 0.5477(10) 0.064(2) Uani 1 1 d . . .
H32A H 0.5612 0.8305 0.4380 0.095 Uiso 1 1 calc R . .
H32B H 0.5914 0.8369 0.6152 0.095 Uiso 1 1 calc R . .
H32C H 0.7162 0.8197 0.5668 0.095 Uiso 1 1 calc R . .
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'
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'
Re Re -1.0185 7.2310 '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
O2 Re1 O1 87.83(18) . . ?
O2 Re1 Cl1 90.45(14) . . ?
O1 Re1 Cl1 177.95(13) . . ?
O2 Re1 Cl3 86.97(14) . . ?
O1 Re1 Cl3 87.65(15) . . ?
Cl1 Re1 Cl3 93.36(7) . . ?
O2 Re1 Cl2 176.09(14) . . ?
O1 Re1 Cl2 88.66(13) . . ?
Cl1 Re1 Cl2 93.09(7) . . ?
Cl3 Re1 Cl2 91.16(7) . . ?
O2 Re1 Cl4 90.47(14) . . ?
O1 Re1 Cl4 88.36(15) . . ?
Cl1 Re1 Cl4 90.55(7) . . ?
Cl3 Re1 Cl4 175.34(7) . . ?
Cl2 Re1 Cl4 91.16(7) . . ?
C1 O1 Re1 126.4(4) . . ?
C3 O2 Re1 128.6(4) . . ?
O3 C1 O1 120.2(6) . . ?
O3 C1 C2 119.0(6) . . ?
O1 C1 C2 120.8(6) . . ?
C3 C2 C1 114.3(6) . . ?
C3 C2 H2A 108.7 . . ?
C1 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C1 C2 H2B 108.7 . . ?
H2A C2 H2B 107.6 . . ?
O4 C3 O2 122.2(7) . . ?
O4 C3 C2 120.7(7) . . ?
O2 C3 C2 117.0(6) . . ?
C1 O3 Cu1 110.1(4) . . ?
N12 Cu1 N22 171.9(2) . . ?
N12 Cu1 N11 82.6(2) . . ?
N22 Cu1 N11 99.4(2) . . ?
N12 Cu1 N21 101.4(2) . . ?
N22 Cu1 N21 82.0(2) . . ?
N11 Cu1 N21 142.1(2) . . ?
N12 Cu1 O3 85.2(2) . . ?
N22 Cu1 O3 87.9(2) . . ?
N11 Cu1 O3 134.8(2) . . ?
N21 Cu1 O3 82.94(19) . . ?
C11 N11 C112 117.3(6) . . ?
C11 N11 Cu1 131.3(5) . . ?
C112 N11 Cu1 111.4(4) . . ?
C110 N12 C111 117.0(5) . . ?
C110 N12 Cu1 129.9(5) . . ?
C111 N12 Cu1 112.8(4) . . ?
N11 C11 C12 122.8(6) . . ?
N11 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C13 C12 C11 119.9(7) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 119.4(6) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C112 C14 C13 116.5(6) . . ?
C112 C14 C15 119.2(6) . . ?
C13 C14 C15 124.3(6) . . ?
C16 C15 C14 122.4(6) . . ?
C16 C15 H15 118.8 . . ?
C14 C15 H15 118.8 . . ?
C15 C16 C17 119.8(6) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C111 117.3(6) . . ?
C18 C17 C16 123.5(6) . . ?
C111 C17 C16 119.2(6) . . ?
C19 C18 C17 119.6(6) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C18 C19 C110 118.6(7) . . ?
C18 C19 H19 120.7 . . ?
C110 C19 H19 120.7 . . ?
N12 C110 C19 123.7(6) . . ?
N12 C110 H110 118.2 . . ?
C19 C110 H110 118.2 . . ?
N12 C111 C17 123.7(6) . . ?
N12 C111 C112 116.4(5) . . ?
C17 C111 C112 119.9(5) . . ?
N11 C112 C14 124.0(6) . . ?
N11 C112 C111 116.7(5) . . ?
C14 C112 C111 119.4(5) . . ?
C21 N21 C212 117.3(6) . . ?
C21 N21 Cu1 131.1(5) . . ?
C212 N21 Cu1 111.1(4) . . ?
C210 N22 C211 118.8(6) . . ?
C210 N22 Cu1 128.2(5) . . ?
C211 N22 Cu1 112.8(4) . . ?
N21 C21 C22 123.5(7) . . ?
N21 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C23 C22 C21 118.6(7) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C22 C23 C24 119.9(7) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C212 C24 C23 116.7(6) . . ?
C212 C24 C25 119.5(7) . . ?
C23 C24 C25 123.8(7) . . ?
C26 C25 C24 121.0(7) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C25 C26 C27 121.0(7) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C211 C27 C28 116.6(7) . . ?
C211 C27 C26 119.2(7) . . ?
C28 C27 C26 124.1(6) . . ?
C29 C28 C27 120.2(7) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C210 119.5(7) . . ?
C28 C29 H29 120.2 . . ?
C210 C29 H29 120.2 . . ?
N22 C210 C29 121.6(7) . . ?
N22 C210 H210 119.2 . . ?
C29 C210 H210 119.2 . . ?
N22 C211 C27 123.1(6) . . ?
N22 C211 C212 117.7(6) . . ?
C27 C211 C212 119.1(6) . . ?
N21 C212 C24 123.9(6) . . ?
N21 C212 C211 116.0(6) . . ?
C24 C212 C211 120.1(6) . . ?
N31 C31 C32 178.5(11) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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
Re1 O2 2.000(4) . ?
Re1 O1 2.045(5) . ?
Re1 Cl1 2.3455(18) . ?
Re1 Cl3 2.3471(17) . ?
Re1 Cl2 2.3516(16) . ?
Re1 Cl4 2.3630(17) . ?
O1 C1 1.292(8) . ?
O2 C3 1.309(8) . ?
C1 O3 1.228(8) . ?
C1 C2 1.522(9) . ?
C2 C3 1.517(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 O4 1.219(8) . ?
O3 Cu1 2.273(5) . ?
Cu1 N12 1.999(5) . ?
Cu1 N22 2.000(6) . ?
Cu1 N11 2.029(5) . ?
Cu1 N21 2.072(5) . ?
N11 C11 1.330(8) . ?
N11 C112 1.364(8) . ?
N12 C110 1.324(8) . ?
N12 C111 1.357(8) . ?
C11 C12 1.397(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.371(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.413(10) . ?
C13 H13 0.9300 . ?
C14 C112 1.407(9) . ?
C14 C15 1.420(9) . ?
C15 C16 1.348(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.454(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.388(10) . ?
C17 C111 1.401(8) . ?
C18 C19 1.383(11) . ?
C18 H18 0.9300 . ?
C19 C110 1.396(9) . ?
C19 H19 0.9300 . ?
C110 H110 0.9300 . ?
C111 C112 1.444(8) . ?
N21 C21 1.326(8) . ?
N21 C212 1.358(8) . ?
N22 C210 1.332(9) . ?
N22 C211 1.352(8) . ?
C21 C22 1.395(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.369(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.415(10) . ?
C23 H23 0.9300 . ?
C24 C212 1.389(9) . ?
C24 C25 1.428(10) . ?
C25 C26 1.347(12) . ?
C25 H25 0.9300 . ?
C26 C27 1.442(10) . ?
C26 H26 0.9300 . ?
C27 C211 1.401(9) . ?
C27 C28 1.402(10) . ?
C28 C29 1.364(11) . ?
C28 H28 0.9300 . ?
C29 C210 1.401(10) . ?
C29 H29 0.9300 . ?
C210 H210 0.9300 . ?
C211 C212 1.445(9) . ?
N31 C31 1.124(12) . ?
C31 C32 1.445(12) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
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
O2 Re1 O1 C1 -29.9(5) . . . . ?
Cl1 Re1 O1 C1 3(4) . . . . ?
Cl3 Re1 O1 C1 -117.0(5) . . . . ?
Cl2 Re1 O1 C1 151.8(5) . . . . ?
Cl4 Re1 O1 C1 60.6(5) . . . . ?
O1 Re1 O2 C3 13.1(6) . . . . ?
Cl1 Re1 O2 C3 -165.8(5) . . . . ?
Cl3 Re1 O2 C3 100.8(5) . . . . ?
Cl2 Re1 O2 C3 39(2) . . . . ?
Cl4 Re1 O2 C3 -75.3(5) . . . . ?
Re1 O1 C1 O3 -173.5(5) . . . . ?
Re1 O1 C1 C2 7.6(9) . . . . ?
O3 C1 C2 C3 -139.6(7) . . . . ?
O1 C1 C2 C3 39.2(9) . . . . ?
Re1 O2 C3 O4 -159.1(5) . . . . ?
Re1 O2 C3 C2 24.1(9) . . . . ?
C1 C2 C3 O4 127.4(7) . . . . ?
C1 C2 C3 O2 -55.8(9) . . . . ?
O1 C1 O3 Cu1 -16.5(8) . . . . ?
C2 C1 O3 Cu1 162.4(5) . . . . ?
C1 O3 Cu1 N12 -76.4(5) . . . . ?
C1 O3 Cu1 N22 99.3(5) . . . . ?
C1 O3 Cu1 N11 -1.8(6) . . . . ?
C1 O3 Cu1 N21 -178.5(5) . . . . ?
N12 Cu1 N11 C11 -176.8(6) . . . . ?
N22 Cu1 N11 C11 11.2(6) . . . . ?
N21 Cu1 N11 C11 -77.8(7) . . . . ?
O3 Cu1 N11 C11 107.6(6) . . . . ?
N12 Cu1 N11 C112 3.4(4) . . . . ?
N22 Cu1 N11 C112 -168.6(4) . . . . ?
N21 Cu1 N11 C112 102.5(5) . . . . ?
O3 Cu1 N11 C112 -72.2(5) . . . . ?
N22 Cu1 N12 C110 -73.5(17) . . . . ?
N11 Cu1 N12 C110 -178.1(7) . . . . ?
N21 Cu1 N12 C110 40.1(7) . . . . ?
O3 Cu1 N12 C110 -41.7(7) . . . . ?
N22 Cu1 N12 C111 100.4(16) . . . . ?
N11 Cu1 N12 C111 -4.2(5) . . . . ?
N21 Cu1 N12 C111 -146.0(5) . . . . ?
O3 Cu1 N12 C111 132.2(5) . . . . ?
C112 N11 C11 C12 0.2(10) . . . . ?
Cu1 N11 C11 C12 -179.6(6) . . . . ?
N11 C11 C12 C13 1.5(12) . . . . ?
C11 C12 C13 C14 -1.3(12) . . . . ?
C12 C13 C14 C112 -0.3(11) . . . . ?
C12 C13 C14 C15 178.8(8) . . . . ?
C112 C14 C15 C16 -2.1(12) . . . . ?
C13 C14 C15 C16 178.8(8) . . . . ?
C14 C15 C16 C17 0.4(12) . . . . ?
C15 C16 C17 C18 179.8(8) . . . . ?
C15 C16 C17 C111 0.6(11) . . . . ?
C111 C17 C18 C19 -0.3(11) . . . . ?
C16 C17 C18 C19 -179.6(8) . . . . ?
C17 C18 C19 C110 0.4(12) . . . . ?
C111 N12 C110 C19 0.5(11) . . . . ?
Cu1 N12 C110 C19 174.2(6) . . . . ?
C18 C19 C110 N12 -0.5(12) . . . . ?
C110 N12 C111 C17 -0.5(10) . . . . ?
Cu1 N12 C111 C17 -175.2(5) . . . . ?
C110 N12 C111 C112 179.0(6) . . . . ?
Cu1 N12 C111 C112 4.3(7) . . . . ?
C18 C17 C111 N12 0.4(10) . . . . ?
C16 C17 C111 N12 179.6(7) . . . . ?
C18 C17 C111 C112 -179.1(7) . . . . ?
C16 C17 C111 C112 0.2(10) . . . . ?
C11 N11 C112 C14 -2.0(10) . . . . ?
Cu1 N11 C112 C14 177.8(5) . . . . ?
C11 N11 C112 C111 178.1(6) . . . . ?
Cu1 N11 C112 C111 -2.2(7) . . . . ?
C13 C14 C112 N11 2.0(10) . . . . ?
C15 C14 C112 N11 -177.2(7) . . . . ?
C13 C14 C112 C111 -178.0(6) . . . . ?
C15 C14 C112 C111 2.8(10) . . . . ?
N12 C111 C112 N11 -1.4(9) . . . . ?
C17 C111 C112 N11 178.1(6) . . . . ?
N12 C111 C112 C14 178.6(6) . . . . ?
C17 C111 C112 C14 -1.9(9) . . . . ?
N12 Cu1 N21 C21 4.2(7) . . . . ?
N22 Cu1 N21 C21 176.6(7) . . . . ?
N11 Cu1 N21 C21 -88.4(7) . . . . ?
O3 Cu1 N21 C21 87.8(7) . . . . ?
N12 Cu1 N21 C212 -167.3(4) . . . . ?
N22 Cu1 N21 C212 5.1(4) . . . . ?
N11 Cu1 N21 C212 100.1(5) . . . . ?
O3 Cu1 N21 C212 -83.7(4) . . . . ?
N12 Cu1 N22 C210 -63.7(18) . . . . ?
N11 Cu1 N22 C210 39.7(6) . . . . ?
N21 Cu1 N22 C210 -178.6(6) . . . . ?
O3 Cu1 N22 C210 -95.4(6) . . . . ?
N12 Cu1 N22 C211 111.6(15) . . . . ?
N11 Cu1 N22 C211 -145.0(5) . . . . ?
N21 Cu1 N22 C211 -3.3(5) . . . . ?
O3 Cu1 N22 C211 79.9(5) . . . . ?
C212 N21 C21 C22 2.7(11) . . . . ?
Cu1 N21 C21 C22 -168.4(5) . . . . ?
N21 C21 C22 C23 -4.3(12) . . . . ?
C21 C22 C23 C24 2.5(11) . . . . ?
C22 C23 C24 C212 0.6(10) . . . . ?
C22 C23 C24 C25 -177.4(7) . . . . ?
C212 C24 C25 C26 3.6(12) . . . . ?
C23 C24 C25 C26 -178.4(8) . . . . ?
C24 C25 C26 C27 -1.1(13) . . . . ?
C25 C26 C27 C211 -0.4(12) . . . . ?
C25 C26 C27 C28 177.0(8) . . . . ?
C211 C27 C28 C29 -0.1(11) . . . . ?
C26 C27 C28 C29 -177.5(8) . . . . ?
C27 C28 C29 C210 0.7(12) . . . . ?
C211 N22 C210 C29 3.0(11) . . . . ?
Cu1 N22 C210 C29 178.1(6) . . . . ?
C28 C29 C210 N22 -2.2(12) . . . . ?
C210 N22 C211 C27 -2.4(10) . . . . ?
Cu1 N22 C211 C27 -178.2(5) . . . . ?
C210 N22 C211 C212 176.8(6) . . . . ?
Cu1 N22 C211 C212 1.0(8) . . . . ?
C28 C27 C211 N22 1.0(11) . . . . ?
C26 C27 C211 N22 178.5(7) . . . . ?
C28 C27 C211 C212 -178.2(6) . . . . ?
C26 C27 C211 C212 -0.7(10) . . . . ?
C21 N21 C212 C24 0.8(10) . . . . ?
Cu1 N21 C212 C24 173.6(5) . . . . ?
C21 N21 C212 C211 -178.9(6) . . . . ?
Cu1 N21 C212 C211 -6.1(7) . . . . ?
C23 C24 C212 N21 -2.4(10) . . . . ?
C25 C24 C212 N21 175.8(7) . . . . ?
C23 C24 C212 C211 177.3(6) . . . . ?
C25 C24 C212 C211 -4.6(10) . . . . ?
N22 C211 C212 N21 3.6(9) . . . . ?
C27 C211 C212 N21 -177.1(6) . . . . ?
N22 C211 C212 C24 -176.0(6) . . . . ?
C27 C211 C212 C24 3.2(10) . . . . ?
