Multiply "trapped" <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid media.
Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.; Chemical communications (Cambridge, England) 54 (2018) 976–979; doi:10.1039/c7cc09503a

data_7121052
_publ_section_title
;
 Multiply &quot;trapped&quot;
 <sup>3</sup>[trans-Pt(PR<sub>3</sub>)<sub>2</sub>(C[triple bond, length
 as m-dash]CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]* conformers in rigid
 media.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              976
_journal_page_last               979
_journal_paper_doi               10.1039/c7cc09503a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C22 H28 P2 Pt1'
_chemical_formula_sum            'C22 H28 P2 Pt'
_chemical_formula_weight         549.47
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'direct - structure invariant direct methods'
_atom_sites_solution_secondary   'direct - structure invariant direct methods'
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2017-12-07T10:19:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-12-11 deposited with the CCDC.
2017-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.762(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.3735(18)
_cell_length_b                   5.7621(4)
_cell_length_c                   17.4350(13)
_cell_measurement_reflns_used    9410
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      2.34
_cell_measurement_wavelength     0.71073
_cell_volume                     2180.8(3)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       '\f or \w oscillation scans'
_diffrn_orient_matrix_UB_11      -0.051665
_diffrn_orient_matrix_UB_12      0.080758
_diffrn_orient_matrix_UB_13      -0.026658
_diffrn_orient_matrix_UB_21      -0.003443
_diffrn_orient_matrix_UB_22      0.078567
_diffrn_orient_matrix_UB_23      0.037121
_diffrn_orient_matrix_UB_31      0.033657
_diffrn_orient_matrix_UB_32      0.132001
_diffrn_orient_matrix_UB_33      -0.005785
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27935
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.486
_diffrn_reflns_theta_min         1.876
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.583
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.765
_refine_diff_density_min         -1.3
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     236
_refine_ls_number_reflns         27935
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.028
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0230P)^2^+2.5871P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.079
_refine_ls_wR_factor_ref         0.0854
_reflns_Friedel_coverage         0
_reflns_number_gt                21129
_reflns_number_total             27935
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc09503a2.cif
_cod_data_source_block           shelx_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7121049--7121052.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7121052
_shelx_estimated_absorpt_t_min   0.1
_shelx_estimated_absorpt_t_max   0.419