 
data_GT_150_0m_a 
  
_audit_creation_method            'SHELXL-2014/7' 
_shelx_SHELXL_version_number      '2014/7' 
_chemical_name_systematic         ? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Ag8 O6 Pt' 
_chemical_formula_weight          1154.05 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Ag'  'Ag'  -0.8971   1.1015 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Pt'  'Pt'  -1.7033   8.3905 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_space_group_crystal_system       triclinic 
_space_group_IT_number            2 
_space_group_name_H-M_alt         'P -1' 
_space_group_name_Hall            '-P 1' 
  
_shelx_space_group_comment 
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
; 
  
loop_ 
 _space_group_symop_operation_xyz 
 'x, y, z' 
 '-x, -y, -z' 
  
_cell_length_a                    6.1929(2) 
_cell_length_b                    6.9679(3) 
_cell_length_c                    10.3926(4) 
_cell_angle_alpha                 87.373(2) 
_cell_angle_beta                  85.141(2) 
_cell_angle_gamma                 71.754(2) 
_cell_volume                      424.29(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     9256 
_cell_measurement_theta_min       3.62 
_cell_measurement_theta_max       30.48 
  
_exptl_crystal_description        needle 
_exptl_crystal_colour             black 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_method     ? 
_exptl_crystal_density_diffrn     9.033 
_exptl_crystal_F_000              1004 
_exptl_transmission_factor_min    ? 
_exptl_transmission_factor_max    ? 
_exptl_crystal_size_max           0.167 
_exptl_crystal_size_mid           0.067 
_exptl_crystal_size_min           0.035 
_exptl_absorpt_coefficient_mu     34.446 
_shelx_estimated_absorpt_T_min    0.069 
_shelx_estimated_absorpt_T_max    0.379 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.069
_exptl_absorpt_correction_T_max   0.379
_exptl_absorpt_process_details    'Bruker SADABS' 
_exptl_absorpt_special_details    ? 
_diffrn_ambient_temperature       296(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_source                    ? 
_diffrn_measurement_device_type   'Bruker APEX-II CCD' 
_diffrn_measurement_method        'φ and ω scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             53858 
_diffrn_reflns_av_unetI/netI      0.0154 
_diffrn_reflns_av_R_equivalents   0.0495 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        8 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        9 
_diffrn_reflns_limit_l_min        -14 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          3.079 
_diffrn_reflns_theta_max          29.991 
_diffrn_reflns_theta_full         25.242 
_diffrn_measured_fraction_theta_max   1.000 
_diffrn_measured_fraction_theta_full  0.999 
_diffrn_reflns_Laue_measured_fraction_max    1.000 
_diffrn_reflns_Laue_measured_fraction_full   0.999 
_diffrn_reflns_point_group_measured_fraction_max   1.000 
_diffrn_reflns_point_group_measured_fraction_full  0.999 
_reflns_number_total              2467 
_reflns_number_gt                 2421 
_reflns_threshold_expression      'I > 2σ(I)' 
_reflns_Friedel_coverage          0.000 
_reflns_Friedel_fraction_max      . 
_reflns_Friedel_fraction_full     . 
  
_reflns_special_details 
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
; 
  
_computing_data_collection        'Bruker APEX2' 
_computing_cell_refinement        'Bruker SAINT' 
_computing_data_reduction         'Bruker SAINT' 
_computing_structure_solution     'SHELXS-97 (Sheldrick 2008)' 
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'Bruker SHELXTL' 
_refine_special_details           ? 
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
'w=1/[σ²(Fo²)+(0.0096P)²+1.1785P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      ? 
_atom_sites_solution_secondary    ? 
_atom_sites_solution_hydrogens    . 
_refine_ls_hydrogen_treatment     undef 
_refine_ls_extinction_method      'SHELXL-2014/7 (Sheldrick 2014' 
_refine_ls_extinction_coef        0.00989(12) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          2467 
_refine_ls_number_parameters      140 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0143 
_refine_ls_R_factor_gt            0.0139 
_refine_ls_wR_factor_ref          0.0294 
_refine_ls_wR_factor_gt           0.0293 
_refine_ls_goodness_of_fit_ref    1.141 
_refine_ls_restrained_S_all       1.141 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_site_symmetry_order 
 _atom_site_calc_flag 
 _atom_site_refinement_flags_posn 
 _atom_site_refinement_flags_adp 
 _atom_site_refinement_flags_occupancy 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Ag1 Ag 0.5000 0.0000 0.5000 0.01032(8) Uani 1 2 d S . P . . 
Ag2 Ag 0.15310(5) 0.36129(5) 0.40412(3) 0.01266(7) Uani 1 1 d . . . . . 
Ag3 Ag 0.45965(5) 0.72034(5) 0.03903(3) 0.01299(7) Uani 1 1 d . . . . . 
Ag4 Ag 0.38106(5) 0.66550(5) 0.40157(3) 0.01422(7) Uani 1 1 d . . . . . 
Ag5 Ag 0.15740(5) 0.46569(5) 0.13429(3) 0.01256(7) Uani 1 1 d . . . . . 
Ag6 Ag -0.15132(6) 0.76423(5) 0.30374(3) 0.01579(7) Uani 1 1 d . . . . . 
Ag7 Ag -0.13760(5) 0.87525(5) 0.03108(3) 0.01290(7) Uani 1 1 d . . . . . 
Ag8 Ag 0.0000 1.0000 0.5000 0.01225(9) Uani 1 2 d S . P . . 
Ag9 Ag 0.30533(5) 1.03092(5) 0.22807(3) 0.01274(7) Uani 1 1 d . . . . . 
Pt1 Pt 0.71330(2) 0.28891(2) 0.24587(2) 0.00588(4) Uani 1 1 d . . . . . 
O1 O 0.5194(5) 0.2602(4) 0.4070(3) 0.0103(5) Uani 1 1 d . . . . . 
O2 O 0.8921(5) 0.3453(4) 0.0874(3) 0.0118(5) Uani 1 1 d . . . . . 
O3 O 0.4486(5) 0.5346(4) 0.2057(3) 0.0103(5) Uani 1 1 d . . . . . 
O4 O 0.8096(5) 0.4711(4) 0.3571(3) 0.0113(5) Uani 1 1 d . . . . . 
O5 O 0.6027(5) 0.1029(4) 0.1416(3) 0.0117(5) Uani 1 1 d . . . . . 
O6 O 0.9610(5) 0.0347(4) 0.2948(3) 0.0106(5) Uani 1 1 d . . . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Ag1 O1 2.048(3) 2_656 ? 
Ag1 O1 2.048(3) . ? 
Ag2 O4 2.114(3) 1_455 ? 
Ag2 O1 2.157(3) . ? 
Ag3 O3 2.124(3) . ? 
Ag3 O5 2.192(3) 2_665 ? 
Ag4 O3 2.222(3) . ? 
Ag5 O2 2.163(3) 1_455 ? 
Ag5 O3 2.199(3) . ? 
Ag6 O4 2.172(3) 1_455 ? 
Ag6 O6 2.200(3) 1_465 ? 
Ag7 O2 2.140(3) 2_665 ? 
Ag7 O5 2.163(3) 1_465 ? 
Ag8 O6 2.161(3) 2_666 ? 
Ag8 O6 2.161(3) 1_465 ? 
Ag9 O5 2.170(3) 1_565 ? 
Ag9 O6 2.178(3) 1_465 ? 
Pt1 O2 2.000(3) . ? 
Pt1 O4 2.008(3) . ? 
Pt1 O1 2.016(3) . ? 
Pt1 O3 2.021(3) . ? 
Pt1 O6 2.024(3) . ? 
Pt1 O5 2.033(3) . ? 
O2 Ag7 2.140(3) 2_665 ? 
O2 Ag5 2.163(3) 1_655 ? 
O4 Ag2 2.114(3) 1_655 ? 
O4 Ag6 2.172(3) 1_655 ? 
O5 Ag7 2.163(3) 1_645 ? 
O5 Ag9 2.170(3) 1_545 ? 
O5 Ag3 2.192(3) 2_665 ? 
O6 Ag8 2.161(3) 1_645 ? 
O6 Ag9 2.178(3) 1_645 ? 
O6 Ag6 2.199(3) 1_645 ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1 Ag1 O1 180.0 2_656 . ? 
O4 Ag2 O1 167.26(11) 1_455 . ? 
O3 Ag3 O5 166.50(10) . 2_665 ? 
O2 Ag5 O3 168.81(11) 1_455 . ? 
O4 Ag6 O6 162.80(11) 1_455 1_465 ? 
O2 Ag7 O5 176.80(11) 2_665 1_465 ? 
O6 Ag8 O6 180.0 2_666 1_465 ? 
O5 Ag9 O6 165.31(11) 1_565 1_465 ? 
O2 Pt1 O4 94.02(12) . . ? 
O2 Pt1 O1 174.65(11) . . ? 
O4 Pt1 O1 82.84(11) . . ? 
O2 Pt1 O3 90.16(11) . . ? 
O4 Pt1 O3 86.24(11) . . ? 
O1 Pt1 O3 85.32(11) . . ? 
O2 Pt1 O6 94.01(11) . . ? 
O4 Pt1 O6 95.02(11) . . ? 
O1 Pt1 O6 90.59(11) . . ? 
O3 Pt1 O6 175.54(11) . . ? 
O2 Pt1 O5 89.21(11) . . ? 
O4 Pt1 O5 176.72(11) . . ? 
O1 Pt1 O5 93.90(11) . . ? 
O3 Pt1 O5 93.23(11) . . ? 
O6 Pt1 O5 85.27(11) . . ? 
Pt1 O1 Ag1 128.17(14) . . ? 
Pt1 O1 Ag2 119.58(13) . . ? 
Ag1 O1 Ag2 89.01(10) . . ? 
Pt1 O2 Ag7 126.21(14) . 2_665 ? 
Pt1 O2 Ag5 111.72(13) . 1_655 ? 
Ag7 O2 Ag5 89.67(10) 2_665 1_655 ? 
Pt1 O3 Ag3 122.01(13) . . ? 
Pt1 O3 Ag5 114.49(12) . . ? 
Ag3 O3 Ag5 89.33(10) . . ? 
Pt1 O3 Ag4 97.42(11) . . ? 
Ag3 O3 Ag4 120.60(12) . . ? 
Ag5 O3 Ag4 114.26(12) . . ? 
Pt1 O4 Ag2 114.88(13) . 1_655 ? 
Pt1 O4 Ag6 127.34(14) . 1_655 ? 
Ag2 O4 Ag6 90.53(10) 1_655 1_655 ? 
Pt1 O5 Ag7 116.36(13) . 1_645 ? 
Pt1 O5 Ag9 115.26(13) . 1_545 ? 
Ag7 O5 Ag9 118.98(12) 1_645 1_545 ? 
Pt1 O5 Ag3 100.20(12) . 2_665 ? 
Ag7 O5 Ag3 87.00(10) 1_645 2_665 ? 
Ag9 O5 Ag3 113.35(12) 1_545 2_665 ? 
Pt1 O6 Ag8 113.46(13) . 1_645 ? 
Pt1 O6 Ag9 114.48(13) . 1_645 ? 
Ag8 O6 Ag9 99.11(11) 1_645 1_645 ? 
Pt1 O6 Ag6 112.86(12) . 1_645 ? 
Ag8 O6 Ag6 88.95(10) 1_645 1_645 ? 
Ag9 O6 Ag6 123.35(12) 1_645 1_645 ? 
  
_refine_diff_density_max    1.399 
_refine_diff_density_min   -1.302 
_refine_diff_density_rms    0.203 
  
  
  
