Two pressure-induced superconducting anion radical salts exhibiting different spin states at ambient pressure.
Kato, Reizo; Tajima, Akiko; Nakao, Akiko; Tamura, Masafumi; Journal of the American Chemical Society 128 (2006) 10016–10017; doi:10.1021/ja063525l

data_4101560
_publ_section_title
;
 Two pressure-induced superconducting anion radical salts exhibiting
 different spin states at ambient pressure.
;
_journal_issue                   31
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10016
_journal_page_last               10017
_journal_paper_doi               10.1021/ja063525l
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C5 H14 P, 2(C6 Pd S10)'
_chemical_formula_sum            'C17 H14 P Pd2 S20'
_chemical_formula_weight         1103.27
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 114.302(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   6.3962(3)
_cell_length_b                   36.6911(5)
_cell_length_c                   7.9290(3)
_cell_measurement_reflns_used    4824
_cell_measurement_temperature    297.0
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1695.92(10)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            25415
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.356
_exptl_absorpt_correction_T_max  0.624
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    2.160
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1086.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.39
_refine_diff_density_min         -1.05
_refine_ls_extinction_coef       0.0000
_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   1.047
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     187
_refine_ls_number_reflns         3934
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          -0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'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_ref         0.0909
_reflns_number_gt                3797
_reflns_number_total             3934
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ja063525lsi20060525_015208.cif
_cod_data_source_block           '__EtMe3P[Pd(dmit)2]2'
_cod_database_code               4101560