(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')(dichromato-κ<i>O</i>)copper(II)
Maggard, Paul A.; Kopf, Amy L.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Acta Crystallographica Section C 58 (2002) m207–m209; doi:10.1107/S0108270101021722

data_2012626
_publ_section_title
;
 (2,2'-Bipyridine-\k^2^<i>N</i>,<i>N</i>')(dichromato-\k<i>O</i>)copper(II)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m207
_journal_page_last               m209
_journal_paper_doi               10.1107/S0108270101021722
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Cu (C10 H8 N2)2 (Cr2 O7)]'
_chemical_formula_moiety         'C20 H16 Cr2 Cu1 N4 O7'
_chemical_formula_sum            'C20 H16 Cr2 Cu N4 O7'
_chemical_formula_weight         591.907
_chemical_name_systematic
;
bis(2,2'-bipyridine)(dichromate)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                74.673(2)
_cell_angle_beta                 81.960(2)
_cell_angle_gamma                79.617(2)
_cell_formula_units_Z            2
_cell_length_a                   7.7958(11)
_cell_length_b                   9.9319(14)
_cell_length_c                   14.849(2)
_cell_measurement_reflns_used    5015
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      4
_cell_volume                     1085.5(3)
_computing_cell_refinement       'SAINT-Plus (Siemens, 1996)'
_computing_data_collection       'SMART-NT (Siemens, 1996)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'ATOMS (Dowty, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measurement_device_type  'Bruker AXS'
_diffrn_measurement_method       CCD
_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  0.0378
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10019
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.006
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.649
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Blessing, 1995)'
_exptl_crystal_colour            'translucent dark green'
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_density_meas      1.840(3)
_exptl_crystal_density_method    'flotation pycnometry'
_exptl_crystal_description       block
_exptl_crystal_F_000             594
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.122
_exptl_crystal_size_min          0.088
_refine_diff_density_max         1.213
_refine_diff_density_min         -0.707
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0390
_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^)+(0.0666P)^2^+0.4903P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1029
_refine_ls_wR_factor_ref         0.1088
_reflns_number_gt                4227
_reflns_number_total             5015
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1351.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C20 H16 Cr2 Cu1 N4 O7'
_cod_database_code               2012626
_cod_database_fobs_code          2012626