Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and Au2Pt4 Cyanide Clusters
LeAnn Ladner; Tu Ngo; Carlos Crawford; Zerihun Assefa; Richard E. Sykora; Inorganic Chemistry 50 (2011) 2199–2206; doi:10.1021/ic101836a

data_4324589
_publ_contact_author_address
;University of South Alabama
Department of Chemistry
Chemistry Building, Room 223
Mobile  AL  36688-0002
;
_publ_contact_author_email       rsykora@jaguar1.usouthal.edu
_publ_contact_author_fax         1(251)4607359
_publ_contact_author_name        'Richard E. Sykora'
_publ_contact_author_phone       1(251)4607422
_publ_section_title
;
 Solid-State Photoluminescence Sensitization of Tb3+ by Novel Au2Pt2 and
 Au2Pt4 Cyanide Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2199
_journal_page_last               2206
_journal_paper_doi               10.1021/ic101836a
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety
;
C16 H16 Au N8 O4 Pt Tb, 1.5(C10 H8 N2), 2(H2 O)
;
_chemical_formula_sum            'C31 H32 Au N11 O6 Pt Tb'
_chemical_formula_weight         1205.65
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                101.410(2)
_cell_angle_beta                 92.067(2)
_cell_angle_gamma                91.196(2)
_cell_formula_units_Z            2
_cell_length_a                   10.0646(2)
_cell_length_b                   10.7649(2)
_cell_length_c                   17.6655(3)
_cell_measurement_reflns_used    20508
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.3266
_cell_measurement_theta_min      3.1069
_cell_volume                     1874.14(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.0514
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_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  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30531
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    9.550
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.48394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlis
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.136
_exptl_crystal_description       prism
_exptl_crystal_F_000             1130
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.331
_refine_diff_density_min         -1.429
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       0.00025(7)
_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   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         7106
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0548
_reflns_number_gt                6001
_reflns_number_total             7106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101836a_si_002_1.cif
_cod_data_source_block           2
_cod_database_code               4324589