The cocrystal μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis(aqua(nitrato-κ<i>O</i>){[1-(2-pyridyl-κ<i>N</i>)ethylidene]hydrazine-κ<i>N</i>}copper(II)) μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis((methanol-κ<i>O</i>)(nitrato-κ<i>O</i>){[1-(2-pyridyl-κ<i>N</i>)ethylidene]hydrazine-κ<i>N</i>}copper(II)) (1/1)
Diallo, Madina; Tamboura, Farba Bouyagui; Gaye, Mohamed; Barry, Aliou Hamady; Bah, Youssouph; Acta Crystallographica Section E 64 (2008) m1124–m1125; doi:10.1107/S1600536808024550

data_2219340
_publ_section_title
;The cocrystal
 \m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis(aqua(nitrato-\k<i>O</i>){[1-(2-pyridyl-\k<i>N</i>)ethylidene]hydrazine-\k<i>N</i>}copper(II))
 \m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis((methanol-\k<i>O</i>)(nitrato-\k<i>O</i>){[1-(2-pyridyl-\k<i>N</i>)ethylidene]hydrazine-\k<i>N</i>}copper(II))
 (1/1)
;
_journal_coeditor_code           HB2759
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1124
_journal_page_last               m1125
_journal_paper_doi               10.1107/S1600536808024550
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
;
[Cu2 (C2 O4) (N O3)2 (C7 H9 N3)2 (H2 O)2]
[Cu2 (C2 O4) (N O3)2 (C7 H9 N3)2 (C H4 O)2]
;
_chemical_formula_moiety         'C18 H26 Cu2 N8 O12, C16 H22 Cu2 N8 O12'
_chemical_formula_sum            'C34 H48 Cu4 N16 O24'
_chemical_formula_weight         1319.04
_chemical_name_systematic
;
\m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-
bis(aqua(nitrato-\k<i>O</i>){[1-(2-pyridyl-\k<i>N</i>)ethylidene]hydrazine-
\k<i>N</i>}copper(II))--\m-oxalato-
\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-
bis((methanol-\kO)(nitrato-\k<i>O</i>){[1-(2-pyridyl-
\k<i>N</i>)ethylidene]hydrazine-\k<i>N</i>}copper(II)) (1/1)
;
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.704(4)
_cell_angle_beta                 112.573(4)
_cell_angle_gamma                107.821(4)
_cell_formula_units_Z            1
_cell_length_a                   9.8358(9)
_cell_length_b                   12.3773(10)
_cell_length_c                   12.7136(10)
_cell_measurement_reflns_used    3872
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.981
_cell_measurement_theta_min      0.998
_cell_volume                     1245.2(2)
_computing_cell_refinement       'DENZO (Nonius, 1998)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Nonius, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\p [IS PI CORRECT?]'
_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  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11826
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.786
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.536
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4872
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0157P)^2^+3.8674P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1047
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                3644
_reflns_number_total             4872
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2759.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'difmap and geom' was changed
to 'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        1245.15(18)
_cod_database_code               2219340
_cod_database_fobs_code          2219340