Switchable platinum-based tweezers with Pt-Pt bonding and selective luminescence quenching.
Doistau, Benjamin; Rossi-Gendron, Caroline; Tron, Arnaud; McClenaghan, Nathan D.; Chamoreau, Lise-Marie; Hasenknopf, Bernold; Vives, Guillaume; Dalton transactions (Cambridge, England : 2003) 44 (2015) 8543–8551; doi:10.1039/c4dt03230f

data_7033413
_publ_section_title
;
 Switchable platinum-based tweezers with Pt-Pt bonding and selective
 luminescence quenching.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8543
_journal_page_last               8551
_journal_paper_doi               10.1039/c4dt03230f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C90 H66 Cl2 N7 O4 Pt2 Zn, 3.5 (C2 H3 N)'
_chemical_formula_sum            'C90 H76.5 Cl2 N10.5 O4 Pt2 Zn'
_chemical_formula_weight         1895.56
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-10-06 deposited with the CCDC.
2014-12-16 downloaded from the CCDC.
;
_cell_angle_alpha                65.543(2)
_cell_angle_beta                 89.942(2)
_cell_angle_gamma                88.527(2)
_cell_formula_units_Z            2
_cell_length_a                   15.2042(4)
_cell_length_b                   17.3084(4)
_cell_length_c                   17.7406(4)
_cell_measurement_reflns_used    23983
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2.16
_cell_volume                     4248.08(19)
_computing_cell_refinement
'CrysAlisPro, Agilent Technologies, v1.171.37.34'
_computing_data_reduction
'CrysAlisPro, Agilent Technologies, v1.171.37.34'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas'
_diffrn_measurement_method       '\w and \p scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.66825
_diffrn_reflns_av_unetI/netI     0.1145
_diffrn_reflns_Laue_measured_fraction_full 0.968
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38348
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        23.638
_diffrn_reflns_theta_max         24.706
_diffrn_reflns_theta_min         2.171
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    3.125
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.792
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
(compiled May 22 2014,16:03:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         5.258
_refine_diff_density_min         -3.910
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1014
_refine_ls_number_reflns         38348
_refine_ls_number_restraints     168
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1520
_refine_ls_R_factor_gt           0.0919
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1474P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2324
_refine_ls_wR_factor_ref         0.2550
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19740
_reflns_number_total             38348
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4dt03230f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7033413.cif.'
_cod_original_formula_sum        'C90 H76.50 Cl2 N10.50 O4 Pt2 Zn'
_cod_database_code               7033413
_shelxl_version_number           2013-4
_shelx_res_checksum              77048
_shelx_hkl_checksum              50950