Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes
Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota; Journal of the American Chemical Society 133 (2011) 16054–16061; doi:10.1021/ja2039369

data_4106905
_publ_section_title
;
 Ultrasound-Induced Emission Enhancement Based on Structure-Dependent
 Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum
 Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16054
_journal_page_last               16061
_journal_paper_doi               10.1021/ja2039369
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C57 H78 N4 O4 Pt2'
_chemical_formula_sum            'C57 H78 N4 O4 Pt2'
_chemical_formula_weight         1273.45
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.1342(3)
_cell_length_b                   21.0565(3)
_cell_length_c                   14.0388(2)
_cell_measurement_reflns_used    89317
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.06
_cell_volume                     5360.61(14)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0945
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            107204
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.241
_exptl_absorpt_correction_T_max  0.351
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Rigaku, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       needle
_exptl_crystal_F_000             2544.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.440
_refine_diff_density_min         -1.190
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  5498 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.002(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     604
_refine_ls_number_reflns         12197
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0143P)^2^+3.3742P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0618
_reflns_number_gt                11299
_reflns_number_total             12197
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja2039369_si_005.cif
_cod_data_source_block           (+)-anti-1c_2.5(C6H12)
_cod_original_cell_volume        5360.59(14)
_cod_database_code               4106905