[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)glycinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridoiron(III)‒[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)glycine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridozinc(II) (1/1)
Nielsen, Anne; McKenzie, Christine J.; Bond, Andrew D.; Acta Crystallographica Section E 65 (2009) m1706–; doi:10.1107/S1600536809051022

data_2224337
_publ_section_title
;[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)glycinato-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridoiron(III)--[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)glycine-\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridozinc(II)
 (1/1)
;
_journal_coeditor_code           JH2118
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1706
_journal_paper_doi               10.1107/S1600536809051022
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Fe (C14 H14 N3 O2) Cl2], [Zn Cl2 (C14 H15 N3 O2)]'
_chemical_formula_moiety         'C14 H14 Cl2 Fe N3 O2, C14 H15 Cl2 Zn N3 O2'
_chemical_formula_sum            'C28 H29 Cl4 Fe N6 O4 Zn'
_chemical_formula_weight         776.59
_chemical_name_systematic
;
[<i>N</i>,<i>N</i>-Bis(2-pyridylmethyl)glycinato-
\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridoiron(III)--
[<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)glycine-
\k^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]dichloridozinc(II) (1/1)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.737(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.8710(3)
_cell_length_b                   13.1898(5)
_cell_length_c                   13.3983(4)
_cell_measurement_reflns_used    5945
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      29.90
_cell_measurement_theta_min      2.30
_cell_volume                     1566.97(9)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker--Nonius X8APEXII CCD'
_diffrn_measurement_method       'Thin-slice \w and \f 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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32580
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         3.76
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.615
_exptl_absorpt_correction_T_max  0.794
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             790
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.709
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.364
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         4775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.364
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0533
_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^)+7.0062P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                4248
_reflns_number_total             4775
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2118.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2224337
_cod_database_fobs_code          2224337