[2,2'-Bis(pyridin-2-ylmethoxy)biphenyl-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')cadmium
Cai-Juan Zhao; Rui-Feng Zhang; Acta Crystallographica, Section E 67 (2011) m1487–m1487; doi:10.1107/S1600536811039687

data_2231794
_publ_contact_author_address
;School of Chemistry & Material Science
 Shanxi Normal University
 Linfen 041004
 People's Republic of China'
;
_publ_contact_author_email       sxsdzrf@yahoo.com.cn
_publ_contact_author_fax         '+86 357 2051192'
_publ_contact_author_name        ' Rui-Feng Zhang'
_publ_contact_author_phone       '+86 357 2051192'
_publ_section_title
;
 [2,2'-Bis(pyridin-2-ylmethoxy)biphenyl-\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-\k^2^<i>O</i>,<i>O</i>')cadmium
;
_journal_coeditor_code           JH2323
_journal_date_accepted           2011-09-27
_journal_date_recd_electronic    2011-08-28
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              m1487
_journal_page_last               m1487
_journal_paper_category          QM
_journal_paper_doi               10.1107/S1600536811039687
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (N O3)2 (C24 H20 N2 O2)]'
_chemical_formula_sum            'C24 H20 Cd N4 O8'
_chemical_formula_weight         604.84
_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                73.723(2)
_cell_angle_beta                 73.501(2)
_cell_angle_gamma                75.199(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2216(14)
_cell_length_b                   10.1064(16)
_cell_length_c                   14.335(2)
_cell_measurement_reflns_used    4044
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.32
_cell_measurement_theta_min      2.35
_cell_volume                     1207.0(3)
_computing_cell_refinement       'SAINT-NT (Bruker, 1998)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-NT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0165
_diffrn_reflns_av_sigmaI/netI    0.0320
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6126
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    0.962
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.792919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.448
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4197
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0253
_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^)+(0.0345P)^2^+0.1926P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0616
_refine_ls_wR_factor_ref         0.0648
_reflns_number_gt                3714
_reflns_number_total             4197
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jh2323.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding Fobs data.'
_cod_database_code               2231794
_cod_database_fobs_code          2231794