<i>catena</i>-Poly[[(2-{1-[2-(2-aminoethylamino)ethylimino]ethyl}-5-methoxyphenolato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>)copper(II)]-μ-nitrato-κ^2^<i>O</i>:<i>O</i>']
Wang, Suwen; Li, Zhongfang; Wang, Xutao; Yu, Xianjin; Acta Crystallographica Section E 64 (2008) m1193–; doi:10.1107/S1600536808021880

data_2219241
_publ_section_title
<i>catena</i>-Poly[[(2-{1-[2-(2-aminoethylamino)ethylimino]ethyl}-5-methoxyphenolato-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>)copper(II)]-\m-nitrato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           BI2290
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1193
_journal_paper_doi               10.1107/S1600536808021880
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C13 H20 N3 O2) (N O3)]'
_chemical_formula_moiety         'C13 H20 Cu N4 O5'
_chemical_formula_sum            'C13 H20 Cu N4 O5'
_chemical_formula_weight         375.87
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2-{1-[2-(2-aminoethylamino)ethylimino]ethyl}-5-
methoxyphenolato-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>)copper(II)]-\m-
nitrato-\k^2^<i>O</i>:<i>O</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           SHELXL-97
_cell_angle_alpha                69.15(2)
_cell_angle_beta                 89.73(2)
_cell_angle_gamma                89.95(2)
_cell_formula_units_Z            2
_cell_length_a                   7.2012(10)
_cell_length_b                   10.095(2)
_cell_length_c                   11.581(2)
_cell_measurement_reflns_used    2739
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.16
_cell_volume                     786.8(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0286
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4891
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.16
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_T_max  0.730
_exptl_absorpt_correction_T_min  0.569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             390
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.420
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         2739
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.107P)^2^+0.9393P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1595
_reflns_number_gt                1896
_reflns_number_total             2739
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2290.cif
_cod_data_source_block           I
_cod_database_code               2219241
_cod_database_fobs_code          2219241