<i>catena</i>-Poly[[[aquacopper(II)]-μ-[(<i>E</i>)-2-(4-oxopentan-2-ylideneamino)benzoato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']] monohydrate]
Minna Cao; Shao-Min Shi; Fei-Hua Luo; Cui-Xia Cheng; Zong-Qiu Hu; Acta Crystallographica Section E 63 (2007) m1494–m1494; doi:10.1107/S1600536807019514

data_2213185
_publ_section_title
;<i>catena</i>-Poly[[[aquacopper(II)]-\m-[(<i>E</i>)-2-(4-oxopentan-2-ylideneamino)benzoato-\k^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']]
 monohydrate]
;
_journal_coeditor_code           BT2346
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1494
_journal_page_last               m1494
_journal_paper_doi               10.1107/S1600536807019514
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C12 H11 N O2) (H2 O)], H~2~O'
_chemical_formula_moiety         'C12 H13 Cu N O4, H2 O'
_chemical_formula_sum            'C12 H15 Cu N O5'
_chemical_formula_weight         316.79
_chemical_name_systematic
;
catena-Poly[[[aquacopper(II)]-\m-[(E)-2-(4-oxopentan-2-ylideneamino)benzoato-
\k^4^O,N,O':O''] monohydrate]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.1933(7)
_cell_length_b                   8.8144(7)
_cell_length_c                   35.209(3)
_cell_measurement_reflns_used    3438
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.74
_cell_volume                     2542.8(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.1102
_diffrn_reflns_av_sigmaI/netI    0.0747
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            17406
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    1.733
_exptl_absorpt_correction_T_max  0.9662
_exptl_absorpt_correction_T_min  0.7231
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.545
_refine_diff_density_min         -0.622
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         3029
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0474
_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^)+(0.0644P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1243
_reflns_number_gt                2209
_reflns_number_total             3029
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2346.cif
_cod_data_source_block           I
_cod_original_cell_volume        2542.7(4)
_cod_database_code               2213185
_cod_database_fobs_code          2213185