<i>trans</i>-Bis(hexafluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis[<i>trans</i>-1-(2-pyridyl)-2-(4-pyridyl)ethylene-κ<i>N</i>^4^]copper(II)
Juan Granifo; Moisés Vargas; Ricardo Baggio; Acta Crystallographica Section E 62 (2006) m3456–m3458; doi:10.1107/S1600536806048574

data_2211367
_publ_section_title
<i>trans</i>-Bis(hexafluoroacetylacetonato-\k^2^<i>O</i>,<i>O</i>')bis[<i>trans</i>-1-(2-pyridyl)-2-(4-pyridyl)ethylene-\k<i>N</i>^4^]copper(II)
_journal_coeditor_code           DN2091
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3456
_journal_page_last               m3458
_journal_paper_doi               10.1107/S1600536806048574
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C5 H F6 O2)2 (C12 H10 N2)2]'
_chemical_formula_moiety         'C34 H22 Cu F12 N4 O4'
_chemical_formula_sum            'C34 H22 Cu F12 N4 O4'
_chemical_formula_weight         842.10
_chemical_name_systematic
;
trans-Bis(hexafluoroacetylacetonato-\k^2^O,O')bis[trans-1-(2-pyridyl)-
2-(4-pyridyl)ethylene-\kN^4^]copper(II)
;
_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                74.23(3)
_cell_angle_beta                 84.12(3)
_cell_angle_gamma                87.98(3)
_cell_formula_units_Z            1
_cell_length_a                   9.1513(18)
_cell_length_b                   10.009(2)
_cell_length_c                   10.424(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      7.5
_cell_volume                     914.0(3)
_computing_cell_refinement
;
MSC/AFC Diffractometer Control Software
;
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure
Corporation, 1988)
;
_computing_data_reduction
;
MSC/AFC Diffractometer Control Software
;
_computing_molecular_graphics    'SHELXTL-NT (Sheldrick, 2000)'
_computing_publication_material
'SHELXTL-NT (Sheldrick, 2000) and PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Rigaku AFC-6'
_diffrn_measurement_method       \w/2\q
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0981
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -2
_diffrn_reflns_number            4174
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.701
_exptl_absorpt_correction_T_max  0.91
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             423
_exptl_crystal_size_max          .35
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .12
_refine_diff_density_max         0.414
_refine_diff_density_min         -0.482
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         3219
_refine_ls_number_restraints     224
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1419
_refine_ls_R_factor_gt           0.0543
_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/[\s^2^(Fo^2^)+(0.0916P)^2^+1.5666P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1366
_refine_ls_wR_factor_ref         0.1930
_reflns_number_gt                1907
_reflns_number_total             3219
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2091.cif
_cod_data_source_block           I
_cod_original_cell_volume        913.9(3)
_cod_database_code               2211367
_cod_database_fobs_code          2211367