Bis{μ:κ^2^,κ^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'-bipyridine}dicopper(I) bis(hexafluorophosphate)
Kennepohl, Dietmar; Thomas, Angela; McDonald, Robert; Acta Crystallographica Section E 62 (2006) m2967–m2969; doi:10.1107/S1600536806042310

data_2211193
_publ_section_title
;Bis{\m:\k^2^,\k^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'-bipyridine}dicopper(I)
 bis(hexafluorophosphate)
;
_journal_coeditor_code           SG2072
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2967
_journal_page_last               m2969
_journal_paper_doi               10.1107/S1600536806042310
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cu (C26 H24 N6)2] (P1 F6)2'
_chemical_formula_moiety         'C52 H48 Cu2 N12 2+, 2(F6 P -)'
_chemical_formula_sum            'C52 H48 Cu2 F12 N12 P2'
_chemical_formula_weight         1258.04
_chemical_name_systematic
;
Bis{\m:\k^2^,\k^2^-6,6'-bis[2-(2-pyridyl)ethyliminomethyl]-2,2'-
bipyridine}dicopper(I) bis(hexafluorophosphate)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 98.3298(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6235(7)
_cell_length_b                   16.6329(9)
_cell_length_c                   23.8071(12)
_cell_measurement_reflns_used    7632
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.382
_cell_measurement_theta_min      2.999
_cell_volume                     5337.7(5)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and
POV-RAY for Windows (The <i>POV-RAY</i> Team, 2002)
;
_computing_publication_material  'SHELXTL (Bruker, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'DIRDIF96 (Beurskens <i>et al.</i>,  1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector/PLATFORM'
_diffrn_measurement_method       \w
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            16047
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.8708
_exptl_absorpt_correction_T_min  0.6588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2003)'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2560
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.128
_refine_diff_density_min         -0.472
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0453
_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/[\s^2^(Fo^2^)+(0.0733P)^2^+9.7413P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1217
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                4525
_reflns_number_total             5470
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sg2072.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211193
_cod_database_fobs_code          2211193