Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)
Yu, Derrick Ethelbhert C.; Matsuda, Masaki; Tajima, Hiroyuki; Kikuchi, Akira; Taketsugu, Tetsuya; Hanasaki, Noriaki; Naito, Toshio; Inabe, Tamotsu; Journal of Materials Chemistry 19 (2009) 718–; doi:10.1039/b814609h

data_7200405
_publ_section_title
;
 Variable magnetotransport properties in the TPP[Fe(Pc)L2]2 system (TPP
 = tetraphenylphosphonium, Pc = phthalocyaninato, L = CN, Cl, and Br)
;
_journal_issue                   6
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              718
_journal_paper_doi               10.1039/b814609h
_journal_volume                  19
_journal_year                    2009
_chemical_formula_moiety         'C68 H46 Cl2 Fe N10 P '
_chemical_formula_sum            'C68 H46 Cl2 Fe N10 P'
_chemical_formula_weight         1160.91
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                85.71(3)
_cell_angle_beta                 68.16(4)
_cell_angle_gamma                66.19(4)
_cell_formula_units_Z            1
_cell_length_a                   10.501(6)
_cell_length_b                   12.232(6)
_cell_length_c                   12.938(6)
_cell_measurement_reflns_used    14503
_cell_measurement_temperature    273.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1405.7(14)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13709
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.445
_exptl_absorpt_correction_T_max  0.875
_exptl_absorpt_correction_T_min  0.568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             599.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.68
_refine_diff_density_min         -1.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     396
_refine_ls_number_reflns         6411
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0005Fo^2^ + 7.0000\s(Fo^2^) + 3.0000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                5140
_reflns_number_total             6411
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b814609h.txt
_cod_data_source_block           '_PNP[Fe(Pc)Cl2]__________________'
_cod_original_cell_volume        1405.7(12)
_cod_original_formula_sum        'C68 H46 Cl2 Fe N10 P '
_cod_database_code               7200405