Steep Spin-crossover and LIESST Effect of a New Fe(II) Complex with a Tridentate Ligand Derived from 2-Phenyl-4-formylimidazole and N-Methylethylenediamine
Haruna Torigoe; Hiroaki Hagiwara; Shinobu Arata; Masahiro Yamada; Naohide Matsumoto; Chemistry Letters 34 (2005) 956–; doi:10.1246/cl.2005.956

data_8000053
_publ_section_title
;
 Steep Spin-crossover and LIESST Effect of a New Fe(II) Complex with a
 Tridentate Ligand Derived from 2-Phenyl-4-formylimidazole and
 N-Methylethylenediamine
;
_journal_issue                   7
_journal_name_full               'Chemistry Letters'
_journal_page_first              956
_journal_paper_doi               10.1246/cl.2005.956
_journal_volume                  34
_journal_year                    2005
_chemical_formula_moiety         'C26 H32 Cl2 Fe N8 O8 '
_chemical_formula_sum            'C26 H32 Cl2 Fe N8 O8'
_chemical_formula_weight         711.34
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.15(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.498(3)
_cell_length_b                   19.203(5)
_cell_length_c                   13.054(3)
_cell_measurement_reflns_used    21349
_cell_measurement_temperature    230.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3124(1)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9924
_diffrn_measured_fraction_theta_max 0.9924
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30148
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.714
_exptl_absorpt_correction_T_max  0.830
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1472.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.10
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     438
_refine_ls_number_reflns         7119
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0024Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1770
_reflns_number_gt                4071
_reflns_number_total             7119
_reflns_threshold_expression     F^2^&gt;2.0\s(F^2^)
_cod_original_formula_sum        'C26 H32 Cl2 Fe N8 O8 '
_cod_database_code               8000053