[1,2-Bis(pyridin-2-ylmethoxy)benzene-κ^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-κ<i>O</i>)cobalt(II)
Huang, Nan-Nan; Yu, Ying-Hui; Liu, Ying; Hou, Guang-Feng; Gao, Jin-Sheng; Acta Crystallographica Section E 67 (2011) m598–; doi:10.1107/S1600536811013328

data_2230091
_publ_section_title
;
 [1,2-Bis(pyridin-2-ylmethoxy)benzene-\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-\k<i>O</i>)cobalt(II)
;
_journal_coeditor_code           NG5146
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m598
_journal_paper_doi               10.1107/S1600536811013328
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (N O3)2 (C18 H16 N2 O2)]'
_chemical_formula_moiety         'C18 H16 Co N4 O8'
_chemical_formula_sum            'C18 H16 Co N4 O8'
_chemical_formula_weight         475.28
_chemical_name_systematic
;
[1,2-Bis(pyridin-2-ylmethoxy)benzene-
\k^4^<i>N</i>,<i>O</i>,<i>O</i>',<i>N</i>']bis(nitrato-\k<i>O</i>)cobalt(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                78.77(3)
_cell_angle_beta                 79.04(3)
_cell_angle_gamma                78.55(3)
_cell_formula_units_Z            2
_cell_length_a                   8.6281(17)
_cell_length_b                   10.701(2)
_cell_length_c                   10.921(2)
_cell_measurement_reflns_used    6221
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.03
_cell_volume                     957.2(3)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9403
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.954
_exptl_absorpt_correction_T_max  0.8395
_exptl_absorpt_correction_T_min  0.8034
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             486
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.300
_refine_diff_density_min         -0.438
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4317
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.000
_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^+0.4119P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                2942
_reflns_number_total             4317
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng5146.cif
_cod_data_source_block           I
_cod_database_code               2230091
_cod_database_fobs_code          2230091