<i>catena</i>-Poly[[[hemiaquacopper(II)]-μ-(3,9-dimethyl-4,8-diazaundeca-3,8-diene-2,10-dione dioximato)-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'':κ<i>O</i>] perchlorate]
Golchoubian, Hamid; Nazari, Omelila; Acta Crystallographica Section E 63 (2007) m2324–m2324; doi:10.1107/S160053680703886X

data_2215042
_publ_section_title
;<i>catena</i>-Poly[[[hemiaquacopper(II)]-\m-(3,9-dimethyl-4,8-diazaundeca-3,8-diene-2,10-dione
 dioximato)-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'':\k<i>O</i>]
 perchlorate]
;
_journal_coeditor_code           CF2129
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2324
_journal_page_last               m2324
_journal_paper_doi               10.1107/S160053680703886X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C11 H19 N4 O2) (H2 O)0.5] Cl O4'
_chemical_formula_moiety         'C11 H20 Cu N4 O2.5 + , Cl O4 -'
_chemical_formula_sum            'C11 H20 Cl Cu N4 O6.5'
_chemical_formula_weight         411.30
_chemical_name_systematic
;
catena-Poly[[[hemiaquacopper(II)]-\m-3,9-dimethyl-4,8-diazaundeca-3,8-diene-
2,10-dione dioximato-\k^4^N,N',N'',N'':\kO)] perchlorate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.4450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0833(5)
_cell_length_b                   6.6401(3)
_cell_length_c                   18.6698(7)
_cell_measurement_reflns_used    4849
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      34.00
_cell_measurement_theta_min      3.11
_cell_volume                     1621.88(11)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        APEX2
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_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  0.0349
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15994
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.550
_exptl_absorpt_correction_T_max  0.832
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(APEX2; Bruker, 2005)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.526
_refine_diff_density_min         -0.968
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         4717
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0336
_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^)+(0.03P)^2^+1.5P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0808
_reflns_number_gt                3609
_reflns_number_total             4717
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2129.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215042
_cod_database_fobs_code          2215042