Electrochemiluminescence Properties of [Pt2Ag4(C\τbCC6H4R)8]n (R = CH3, n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and Determination of Sudan I
Qiao-Hua Wei; Li-Jing Han; Yi Jiang; Xiao-Xia Lin; Ya-Nan Duan; Guo-Nan Chen; Inorganic Chemistry 51 (2012) 11117–11125; doi:10.1021/ic3016657

data_4330731
_publ_section_title
;
 Electrochemiluminescence Properties of [Pt2Ag4(C\\tbCC6H4R)8]n (R = CH3,
 n= 1; R = H, n= 1 and 2) with Amine (TPrA and DBAE) as the Coreactant and
 Determination of Sudan I
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11117
_journal_page_last               11125
_journal_paper_doi               10.1021/ic3016657
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C128 H0 Ag8 Pt4'
_chemical_formula_weight         3180.60
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           126
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_atom_sites_solution_hydrogens   'no H-Atoms'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.043(2)
_cell_length_b                   16.043(2)
_cell_length_c                   20.620(4)
_cell_measurement_reflns_used    14610
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      50
_cell_measurement_theta_min      2.67
_cell_volume                     5307.1(14)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Mar CCD'
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Mar CCD 165 nm'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14610
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.67
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    6.736
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
spherical harmonics expansion of the absorption surface (Katayama, et al. 1986)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_description       prism
_exptl_crystal_F_000             2912
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.970
_refine_diff_density_min         -2.422
_refine_diff_density_rms         0.194
_refine_ls_extinction_coef       0.0011(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         2329
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0659
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0997P)^2^+48.1552P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1837
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                1861
_reflns_number_total             2329
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic3016657_si_001_2.cif
_cod_data_source_block           Compoumd_3
_cod_original_cell_volume        5307.0(15)
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_database_code               4330731