Synthesis, Structure, and Properties of the New Intermetallic Compounds SrPdTl2 and SrPtTl2
Shengfeng Liu; John D. Corbett; Inorganic Chemistry 42 (2003) 4898–4901; doi:10.1021/ic030089k

data_4313943
_publ_section_title
;
 Synthesis, Structure, and Properties of the New Intermetallic Compounds
 SrPdTl2 and SrPtTl2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4898
_journal_page_last               4901
_journal_paper_doi               10.1021/ic030089k
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'Pd Sr Tl2'
_chemical_formula_weight         602.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_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            4
_cell_length_a                   4.496(3)
_cell_length_b                   11.008(8)
_cell_length_c                   8.148(6)
_cell_measurement_temperature    273(2)
_cell_volume                     403.3(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_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  0.1742
_diffrn_reflns_av_sigmaI/netI    0.0925
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1136
_diffrn_reflns_theta_full        28.15
_diffrn_reflns_theta_max         28.15
_diffrn_reflns_theta_min         3.70
_exptl_absorpt_coefficient_mu    96.969
_exptl_crystal_density_diffrn    9.928
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_refine_diff_density_max         2.959
_refine_diff_density_min         -4.003
_refine_diff_density_rms         0.731
_refine_ls_extinction_coef       0.0035(5)
_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   0.862
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     16
_refine_ls_number_reflns         281
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.862
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0375
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1063
_reflns_number_gt                253
_reflns_number_total             281
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic030089k.cif
_cod_data_source_block           cor21m
_cod_database_code               4313943