New structures in the bipyridine–copper(II) nitrate–methanol system: [(bpy)~2~Cu(NO~3~)]NO~3~·CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~
Zavalij, Peter Y.; Burton, Benjamin L.; Jones Jr, Wayne E.; Acta Crystallographica Section C 58 (2002) m330–m333; doi:10.1107/S010827010200690X

data_2012751
_publ_section_title
;
 New structures in the bipyridine--copper(II) nitrate--methanol system:
 [(bpy)~2~Cu(NO~3~)]NO~3~&#x00B7;CH~3~OH and [(bpy)~2~Cu(NO~3~)]NO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m330
_journal_page_last               m333
_journal_paper_doi               10.1107/S010827010200690X
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Cu (N O3) (C10 H8 N2)2] (N O3), C H4 O'
_chemical_formula_moiety         'C20 H16 Cu N5 O3 1+, N1 O3 1-, C1 H4 O1'
_chemical_formula_sum            'C21 H20 Cu N6 O7'
_chemical_formula_weight         531.97
_chemical_name_common            I
_chemical_name_systematic
;
bis(2,2'-bipyridine)nitrocopper(II) nitrate methanol solvate
;
_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 and ZCIF by Peter Y. Zavalij'
_cell_angle_alpha                109.492(3)
_cell_angle_beta                 92.902(4)
_cell_angle_gamma                101.347(4)
_cell_formula_units_Z            2
_cell_length_a                   7.6862(6)
_cell_length_b                   11.8902(9)
_cell_length_c                   13.3644(11)
_cell_measurement_reflns_used    6220
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.09
_cell_measurement_theta_min      2.74
_cell_volume                     1119.90(16)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and Materials Studio (Accelrys, 2001)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       '\f and \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  0.0295
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_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
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_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22064
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        -0.78
_exptl_absorpt_coefficient_mu    1.032
_exptl_absorpt_correction_T_max  0.7041
_exptl_absorpt_correction_T_min  0.6340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_mid          0.38
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         6676
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_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0637P)^2^+0.0117P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fr1363.cif
_cod_data_source_block           I
_cod_original_cell_volume        1119.9(2)
_cod_database_code               2012751
_cod_database_fobs_code          2012751