Molecules That Assemble by Sound: An Application to the Instant Gelation of Stable Organic Fluids
Naota, Takeshi; Koori, Hiroshi; Journal of the American Chemical Society 127 (2005) 9324–9325; doi:10.1021/ja050809h

data_4119092
_publ_section_title
;
 Molecules That Assemble by Sound:&#x00A0; An Application to the Instant
 Gelation of Stable Organic Fluids
;
_journal_issue                   26
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9324
_journal_page_last               9325
_journal_paper_doi               10.1021/ja050809h
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C40 H44 N4 O4 Pd2'
_chemical_formula_weight         857.61
_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                93.6235(7)
_cell_angle_beta                 96.9252(6)
_cell_angle_gamma                98.9763(6)
_cell_formula_units_Z            2
_cell_length_a                   10.7005(2)
_cell_length_b                   10.8011(2)
_cell_length_c                   15.9410(2)
_cell_measurement_reflns_used    45308
_cell_measurement_temperature    213.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.3
_cell_volume                     1800.24(5)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9955
_diffrn_measured_fraction_theta_max 0.9955
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            26122
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.047
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.00
_refine_diff_density_min         -0.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_number_parameters     451
_refine_ls_number_reflns         13862
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.10700(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                11222
_reflns_number_total             8181
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja050809hsup2.cif
_cod_data_source_block           2M6
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C40 H44 N4 O4 Pd2 '
_cod_database_code               4119092