Tetraaquabis(4,4-bipyridine)copper(II) bis(perchlorate) bipyridine tetrasolvate
Huan-Li Dong; Li Xu; Qing-Yan Liu; Rui-Li Sang; Acta Crystallographica Section E 61 (2005) m2340–m2342; doi:10.1107/S1600536805032873

data_2207285
_publ_section_title
;
 Tetraaquabis(4,4-bipyridine)copper(II) bis(perchlorate) bipyridine
 tetrasolvate
;
_journal_coeditor_code           LH6498
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2340
_journal_page_last               m2342
_journal_paper_doi               10.1107/S1600536805032873
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Cu (C10 H8 N2)2 (H2 O)4] (Cl O4)2, 4C10 H8 N2'
_chemical_formula_moiety         'C20 H24 Cu N4 O4 2+, 2Cl O4 -, 4C10 H8 N2'
_chemical_formula_sum            'C60 H56 Cl2 Cu N12 O12'
_chemical_formula_weight         1271.62
_chemical_name_systematic
;
Tetraaquabis(4,4-bipyridine)copper(II) diperchlorate bipyridine tetrasolvate
;
_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                63.729(8)
_cell_angle_beta                 88.073(10)
_cell_angle_gamma                81.464(10)
_cell_formula_units_Z            1
_cell_length_a                   7.8728(5)
_cell_length_b                   14.1856(2)
_cell_length_c                   14.8321(4)
_cell_measurement_reflns_used    3511
_cell_measurement_temperature    295.15
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      6.50
_cell_volume                     1467.95(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection
'CrystalClear (Rigaku Corporation & Molecular Structure Corporation, 2004)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997 or 1999??)'
_diffrn_ambient_temperature      295.15
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury70 (2x2 bin mode)'
_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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11148
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         6.49
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_T_max  0.748
_exptl_absorpt_correction_T_min  0.729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(CrystalClear; Rigaku Corporation & Molecular Structure Corporation, 2004)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             659
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.55
_refine_diff_density_max         0.299
_refine_diff_density_min         -0.378
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         6527
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0425
_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/[\s^2^(Fo^2^)+(0.0575P)^2^+0.423P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                5581
_reflns_number_total             6527
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6498.cif
_cod_data_source_block           I
_cod_database_code               2207285
_cod_database_fobs_code          2207285