Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.
Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi; The journal of physical chemistry. A 115 (2011) 986–997; doi:10.1021/jp109863d

data_1501670
_publ_section_title
;
 Formation of a hybrid compound composed of a saddle-distorted
 Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo
 intramolecular photoinduced electron transfer.
;
_journal_issue                   6
_journal_name_full               'The journal of physical chemistry. A'
_journal_page_first              986
_journal_page_last               997
_journal_paper_doi               10.1021/jp109863d
_journal_volume                  115
_journal_year                    2011
_chemical_formula_moiety         'C100 H80 N4 O8 Sn '
_chemical_formula_sum            'C100 H80 N4 O8 Sn'
_chemical_formula_weight         1584.44
_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                103.9427(19)
_cell_angle_beta                 101.9106(19)
_cell_angle_gamma                93.6347(18)
_cell_formula_units_Z            1
_cell_length_a                   11.4345(5)
_cell_length_b                   12.6971(7)
_cell_length_c                   14.1793(8)
_cell_measurement_reflns_used    6657
_cell_measurement_temperature    181.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1941.03(18)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15908
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.394
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             822.00
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.70
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     511
_refine_ls_number_reflns         8777
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0382P)^2^+1.4374P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0971
_reflns_number_gt                8554
_reflns_number_total             8777
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jp109863d_si_003.cif
_cod_data_source_block           '__SnTMP'
_cod_original_formula_sum        'C100 H80 N4 O8 Sn '
_cod_database_code               1501670