<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-κ<i>O</i>}copper(II)]-μ-<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-κ^2^<i>N</i>^1^:<i>O</i>]
Maharramov, Abel M.; Mardanova, Vusala I.; Chyraqov, Famil M.; Gurbanov, Atash V.; Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m128–; doi:10.1107/S1600536812000025

data_2233690
_publ_section_title
;
 <i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-1-yl]benzoato-\k<i>O</i>}copper(II)]-\m-<i>N</i>,<i>N</i>-diethylpyridine-3-carboxamide-\k^2^<i>N</i>^1^:<i>O</i>]
;
_journal_coeditor_code           XU5432
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m128
_journal_paper_doi               10.1107/S1600536812000025
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C12 H11 N2 O4)2 (C10 H14 N2 O) (H2 O)]'
_chemical_formula_moiety         'C34 H38 Cu N6 O10'
_chemical_formula_sum            'C34 H38 Cu N6 O10'
_chemical_formula_weight         754.24
_chemical_name_systematic
;
<i>catena</i>-Poly[[aquabis{4-[2-(2,4-dioxopentan-3-ylidene)hydrazin-
1-yl]benzoato-\k<i>O</i>}copper(II)]-\m-<i>N</i>,<i>N</i>-diethylpyridine-
3-carboxamide-\k^2^<i>N</i>^1^:<i>O</i>]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 101.4310(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.0586(8)
_cell_length_b                   8.5289(4)
_cell_length_c                   24.8249(12)
_cell_measurement_reflns_used    5695
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.4603
_cell_measurement_theta_min      2.2570
_cell_volume                     3540.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            40068
_diffrn_reflns_theta_full        28.39
_diffrn_reflns_theta_max         28.39
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.682
_exptl_absorpt_correction_T_max  0.8756
_exptl_absorpt_correction_T_min  0.8215
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.391
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         8845
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0692P)^2^+0.8919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1313
_reflns_number_gt                6058
_reflns_number_total             8845
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5432.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2233690
_cod_database_fobs_code          2233690