[(Nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrito-κ^2^<i>O</i>,<i>O</i>')(0.25/1.75)]bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)
Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng; Acta Crystallographica Section E 67 (2011) m250–; doi:10.1107/S1600536811002431

data_2229267
_publ_section_title
;
 [(Nitrato-\k^2^<i>O</i>,<i>O</i>')(nitrito-\k^2^<i>O</i>,<i>O</i>')(0.25/1.75)]bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')cadmium(II)
;
_journal_coeditor_code           WM2452
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m250
_journal_paper_doi               10.1107/S1600536811002431
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (N O2)1.75 (N O3)0.25 (C12 H8 N2)2]'
_chemical_formula_moiety         'C24 H16 Cd1 N6 O4.25'
_chemical_formula_sum            'C24 H16 Cd N6 O4.25'
_chemical_formula_weight         568.83
_chemical_name_systematic
;
[(Nitrato-\k^2^<i>O</i>,<i>O</i>')(nitrito
\k^2^<i>O</i>,<i>O</i>')(0.25/1.75)]bis(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')cadmium(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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                76.953(4)
_cell_angle_beta                 77.270(4)
_cell_angle_gamma                70.404(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1470(4)
_cell_length_b                   10.1866(4)
_cell_length_c                   13.0057(6)
_cell_measurement_reflns_used    4883
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.3
_cell_measurement_theta_min      2.4
_cell_volume                     1098.27(9)
_computing_cell_refinement
'<i>CrysAlis PRO</i> (Agilent Technologies, 2010)'
_computing_data_collection
'<i>CrysAlis PRO</i> (Agilent Technologies, 2010)'
_computing_data_reduction
'<i>CrysAlis PRO</i> (Agilent Technologies, 2010)'
_computing_molecular_graphics    '<i>X-SEED</i> (Barbour, 2001)'
_computing_publication_material  '<i>publCIF</i> (Westrip, 2010)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type
'Agilent Technologies SuperNova Dual diffractometer with an Atlas detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8702
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.39
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_T_max  0.9030
_exptl_absorpt_correction_T_min  0.7451
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(<i>CrysAlis PRO</i>; Agilent Technologies, 2010)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Irregular
_exptl_crystal_F_000             568
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.687
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4852
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0283P)^2^+0.1342P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0666
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                4256
_reflns_number_total             4852
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2452.cif
_cod_data_source_block           I
_cod_original_cell_volume        1098.27(8)
_cod_database_code               2229267
_cod_database_fobs_code          2229267