On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]
König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk; Organometallics 30 (2011) 5919–; doi:10.1021/om200767q

data_4065392
_publ_section_title
;
 On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of
 Zeise&#x2019;s Salt Type: Syntheses and Characterization of
 [K(18C6)][PtCl3(RC\\tb CR&#x2032;)]
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5919
_journal_paper_doi               10.1021/om200767q
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C22 H42 Cl3 K O6 Pt'
_chemical_formula_weight         743.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 110.635(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   8.7060(12)
_cell_length_c                   22.1180(14)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.5
_cell_measurement_theta_min      7.7
_cell_volume                     3055.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  STOE-STADI-IV
_diffrn_measurement_method       \w--2\q
_diffrn_radiation_collimation    '0.5 mm'
_diffrn_radiation_detector       'NaI(Tl) scintillation counter'
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_polarisn_norm  90
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_h_max       20
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_diffrn_reflns_theta_min         1.93
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_diffrn_standards_interval_time  60
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_exptl_absorpt_coefficient_mu    5.021
_exptl_absorpt_correction_T_max  0.4224
_exptl_absorpt_correction_T_min  0.2150
_exptl_absorpt_correction_type   'psi scans'
_exptl_absorpt_process_details   '(X-RED 1.07; Stoe & Cie, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.32
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5412
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_refine_ls_restrained_S_all      1.114
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0520
_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^)+(0.0434P)^2^+1.4668P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200767q_si_003.cif
_cod_data_source_block           z:\s1218
_cod_original_cell_volume        3055.8(6)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4065392