Pt-Ag clusters and their neutral mononuclear Pt(II) starting complexes: structural and luminescence studies.
Forniés, Juan; Sicilia, Violeta; Casas, José M; Martín, Antonio; López, José A; Larraz, Carmen; Borja, Pilar; Ovejero, Carmen; Dalton transactions (Cambridge, England : 2003) 40 (2011) 2898–2912; doi:10.1039/c0dt01451f

data_7015290
_publ_section_title
;
 Pt-Ag clusters and their neutral mononuclear Pt(II) starting
 complexes: structural and luminescence studies.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2898
_journal_page_last               2912
_journal_paper_doi               10.1039/c0dt01451f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C42 H44 Ag2 Cl2 N4 O10 Pt2 S4'
_chemical_formula_weight         1569.87
_chemical_name_systematic
;
?
;
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_symmetry_space_group_name_Hall  '-C 2y'
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_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.918(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.0861(4)
_cell_length_b                   20.0925(6)
_cell_length_c                   8.0443(2)
_cell_measurement_reflns_used    8028
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      28.7233
_cell_measurement_theta_min      4.1902
_cell_volume                     2425.37(11)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      101(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_details
;
1 omega -92.00 -2.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -77.0000 -90.0000 90

2 omega 63.00 89.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 77.0000 -60.0000 26

3 omega -39.00 53.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 -77.0000 90.0000 92

4 omega -9.00 16.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 77.0000 -60.0000 25

5 omega -92.00 13.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -77.0000 120.0000 105

6 omega -93.00 12.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -37.0000 -30.0000 105

7 omega -102.00 -32.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 179.0000 -90.0000 70

8 omega 34.00 59.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 179.0000 -90.0000 25

9 omega 34.00 102.00 1.0000 50.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 179.0000 0.0000 68

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scan'
_diffrn_orient_matrix_UB_11      0.0268077000
_diffrn_orient_matrix_UB_12      -0.0290483000
_diffrn_orient_matrix_UB_13      0.0088147000
_diffrn_orient_matrix_UB_21      0.0374942000
_diffrn_orient_matrix_UB_22      0.0197275000
_diffrn_orient_matrix_UB_23      0.0284366000
_diffrn_orient_matrix_UB_31      -0.0104317000
_diffrn_orient_matrix_UB_32      -0.0036735000
_diffrn_orient_matrix_UB_33      0.0835084000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            12390
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         4.20
_exptl_absorpt_coefficient_mu    6.887
_exptl_absorpt_correction_T_max  0.7246
_exptl_absorpt_correction_T_min  0.3003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.150
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         3.543
_refine_diff_density_min         -2.156
_refine_diff_density_rms         0.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         2935
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0475
_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^)+(0.0295P)^2^+53.9212P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                2500
_reflns_number_total             2935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01451f.txt
_cod_data_source_block           3
_cod_original_cell_volume        2425.38(11)
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               7015290