[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II) perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~
Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Huttner, Gottfried; Rutsch, Peter; Acta Crystallographica Section C 55 (1999) 557–558; doi:10.1107/S0108270198016795

data_2008370
_publ_section_title
;[3,3'-Iminobis(<i>N</i>,<i>N</i>-dimethylpropylamine)](4'-methoxyflavonolato)zinc(II)
 perchlorate, [Zn(4'-MeOfla)(idpaH)]ClO~4~
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              557
_journal_page_last               558
_journal_paper_doi               10.1107/S0108270198016795
_journal_volume                  55
_journal_year                    1999
_chemical_formula_iupac          '[Zn (C16 H11 O4) (C10 H25 N3)] Cl O4'
_chemical_formula_sum            'C26 H36 Cl N3 O8 Zn'
_chemical_formula_weight         619.40
_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'
_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                   31.425(5)
_cell_length_b                   14.289(2)
_cell_length_c                   12.375(2)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.27
_cell_volume                     5556.8(15)
_computing_cell_refinement       'local diffractometer software'
_computing_data_collection       'local diffractometer software'
_computing_data_reduction        'local diffractometer software'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997b)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Siemens (Nicolet Syntex)'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0534
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5004
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_type   '\y scan (North et al., 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.398
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5004
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.097
_refine_ls_R_factor_gt           0.059
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0163P)^2^+13.5851P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.104
_reflns_number_gt                3513
_reflns_number_total             5004
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz1294.cif
_cod_data_source_block           jz1294
_cod_database_code               2008370