Bis(μ-4-phenylpyridine <i>N</i>-oxide-κ^2^<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]
Ramos, Ana I.; Fernandes, José A.; Silva, Patrícia; Ribeiro-Claro, Paulo J. A.; Braga, Susana S.; Almeida Paz, Filipe A.; Acta Crystallographica Section E 66 (2010) m824–m825; doi:10.1107/S1600536810022567

data_2226401
_publ_section_title
;
 Bis(\m-4-phenylpyridine
 <i>N</i>-oxide-\k^2^<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)copper(II)]
;
_journal_coeditor_code           CV2732
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m824
_journal_page_last               m825
_journal_paper_doi               10.1107/S1600536810022567
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu2 (C5 H F6 O2)4 (C11 H9 N O)2]'
_chemical_formula_moiety         'C42 H22 Cu2 F24 N2 O10'
_chemical_formula_sum            'C42 H22 Cu2 F24 N2 O10'
_chemical_formula_weight         1297.70
_chemical_name_systematic
;
Bis(\m-4-phenylpyridine
<i>N</i>-oxide-\k^2^<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5-
hexafluoropentane-2,4-dionato)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
_cell_angle_alpha                99.055(2)
_cell_angle_beta                 99.036(2)
_cell_angle_gamma                98.258(2)
_cell_formula_units_Z            1
_cell_length_a                   10.3830(4)
_cell_length_b                   10.7870(4)
_cell_length_c                   11.2498(4)
_cell_measurement_reflns_used    9842
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.64
_cell_measurement_theta_min      2.93
_cell_volume                     1210.40(8)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2005)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEXII'
_diffrn_measurement_method       'omega/phi scans'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0209
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            47759
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         3.73
_exptl_absorpt_coefficient_mu    1.029
_exptl_absorpt_correction_T_max  0.9131
_exptl_absorpt_correction_T_min  0.8364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1997)
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.213
_refine_diff_density_min         -1.396
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6427
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0483
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0712P)^2^+2.0571P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1299
_refine_ls_wR_factor_ref         0.1391
_reflns_number_gt                5461
_reflns_number_total             6427
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2732.cif
_cod_data_source_block           I
_cod_database_code               2226401
_cod_database_fobs_code          2226401