Electron vs Energy Transfer in Arrays Featuring Two Bodipy Chromophores Axially Bound to a Sn(IV) Porphyrin via a Phenolate or Benzoate Bridge
Theodore Lazarides; Susanne Kuhri; Georgios Charalambidis; Manas K. Panda; Dirk M. Guldi; Athanassios G. Coutsolelos; Inorganic Chemistry 51 (2012) 4193–4204; doi:10.1021/ic2026472

data_4328804
_publ_section_title
;
 Electron vs Energy Transfer in Arrays Featuring Two Bodipy Chromophores
 Axially Bound to a Sn(IV) Porphyrin via a Phenolate or Benzoate Bridge
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4193
_journal_page_last               4204
_journal_paper_doi               10.1021/ic2026472
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C84 H66 B2 Cl6 F4 N8 O2 Sn'
_chemical_formula_weight         1648.46
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.81(3)
_cell_angle_beta                 84.66(3)
_cell_angle_gamma                67.14(3)
_cell_formula_units_Z            2
_cell_length_a                   11.840(2)
_cell_length_b                   12.990(3)
_cell_length_c                   26.731(5)
_cell_measurement_reflns_used    72851
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      58.4
_cell_measurement_theta_min      3.4
_cell_volume                     3769.5(16)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      250(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  STOE
_diffrn_measurement_method       'rotation method'
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0529
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19455
_diffrn_reflns_theta_full        28.70
_diffrn_reflns_theta_max         28.70
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.617
_exptl_absorpt_correction_T_max  0.8366
_exptl_absorpt_correction_T_min  0.6447
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'STOE X-Area'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_description       block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          0.78
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.964
_refine_diff_density_min         -1.711
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     975
_refine_ls_number_reflns         19455
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0626P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1143
_reflns_number_gt                13357
_reflns_number_total             19455
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2026472_si_002.cif
_cod_data_source_block           sntppbdp
_cod_original_cell_volume        3769.6(13)
_cod_database_code               4328804