(Acetato-κ<i>O</i>)[benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,N,O</i>'](pyridine-κ<i>N</i>)zinc(II)
Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Zhao, Hui; Acta Crystallographica Section E 60 (2004) m1281–m1283; doi:10.1107/S1600536804019725

data_2204148
_publ_section_title
;(Acetato-\k<i>O</i>)[benzoylacetone
 (4-methoxybenzoyl)hydrazonato-\k^3^<i>O,N,O</i>'](pyridine-\k<i>N</i>)zinc(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1281
_journal_page_last               m1283
_journal_paper_doi               10.1107/S1600536804019725
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Zn (C18 H17 N2 O3) (C2 H3 O2) (C5 H5 N)]'
_chemical_formula_moiety         'C25 H25 N3 O5 Zn'
_chemical_formula_sum            'C25 H25 N3 O5 Zn'
_chemical_formula_weight         512.87
_chemical_name_systematic
;
(Acetato-\kO)[benzoylacetone
(4-methoxybenzoyl)hydrazonato-\k^3^O,N,O'](pyridine-\kN)zinc(II)
;
_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
_cell_angle_alpha                97.790(9)
_cell_angle_beta                 93.760(10)
_cell_angle_gamma                103.828(9)
_cell_formula_units_Z            4
_cell_length_a                   8.590(3)
_cell_length_b                   11.631(3)
_cell_length_c                   24.709(5)
_cell_measurement_reflns_used    7440
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      3.16
_cell_volume                     2362.7(11)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_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  0.049
_diffrn_reflns_av_sigmaI/netI    0.066
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22995
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.442
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.26
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     619
_refine_ls_number_reflns         10723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.108
_refine_ls_R_factor_gt           0.053
_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^)+(0.0472P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.096
_refine_ls_wR_factor_ref         0.109
_reflns_number_gt                6375
_reflns_number_total             10723
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci6425.cif
_cod_data_source_block           I
_cod_database_code               2204148
_cod_database_fobs_code          2204148