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_1501669
_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         'C96 H68 Cl2 N4 O4 Sn, C H Cl3 '
_chemical_formula_sum            'C97 H69 Cl5 N4 O4 Sn'
_chemical_formula_weight         1650.59
_space_group_IT_number           14
_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                90.0000
_cell_angle_beta                 92.653(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   25.106(7)
_cell_length_b                   16.854(4)
_cell_length_c                   37.347(9)
_cell_measurement_reflns_used    15492
_cell_measurement_temperature    183.0
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     15786(7)
_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    SHELXS97
_diffrn_ambient_temperature      183.0
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.109
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            104400
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    0.550
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             6768.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.93
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     2016
_refine_ls_number_reflns         28696
_refine_ls_R_factor_gt           0.0872
_refine_ls_shift/su_max          0.0460
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0293P)^2^+52.8438P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1819
_reflns_number_gt                16856
_reflns_number_total             28696
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jp109863d_si_002.cif
_cod_data_source_block           '__SnTMPCl'
_cod_original_formula_sum        'C97 H69 Cl5 N4 O4 Sn '
_cod_database_code               1501669