<i>catena</i>-Poly[[bis(nitrato-κ<i>O</i>)copper(II)]-μ-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']
Wang, Pin-Ning; Yeh, Chun-Wei; Tsai, Hui-An; Wang, Ju-Chun; Suen, Maw-Cherng; Acta Crystallographica Section E 67 (2011) m881–; doi:10.1107/S1600536811020605

data_2230913
_publ_section_title
;
 <i>catena</i>-Poly[[bis(nitrato-\k<i>O</i>)copper(II)]-\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           XU5198
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m881
_journal_paper_doi               10.1107/S1600536811020605
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (N O3)2 (C12 H12 N2 O2)]'
_chemical_formula_moiety         'C12 H12 Cu N4 O8'
_chemical_formula_sum            'C12 H12 Cu N4 O8'
_chemical_formula_weight         403.80
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(nitrato-\k<i>O</i>)copper(II)]-
\m-1,4-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']
;
_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           SHELXL97
_cell_angle_alpha                90.393(2)
_cell_angle_beta                 103.556(2)
_cell_angle_gamma                114.314(2)
_cell_formula_units_Z            1
_cell_length_a                   6.5240(8)
_cell_length_b                   7.5852(8)
_cell_length_c                   8.3161(8)
_cell_measurement_reflns_used    1976
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      2.5
_cell_volume                     362.09(7)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction
;
SAINT (Bruker, 1997) and SHELXTL (Sheldrick, 2008)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 1000'
_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  0.0188
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2053
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    1.564
_exptl_absorpt_correction_T_max  0.616
_exptl_absorpt_correction_T_min  0.433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             205
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.31
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.439
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1392
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0339
_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^)+(0.0698P)^2^+0.1776P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.0946
_reflns_number_gt                1384
_reflns_number_total             1392
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5198.cif
_cod_data_source_block           I
_cod_database_code               2230913
_cod_database_fobs_code          2230913