Preparation of buta-1,3-diynyl complexes of platinum(II) and their use in the construction of neutral molecular squares: synthesis, structural and theoretical characterisation of cyclo-{Pt(μ-CCCC)(dppe)}4 and related chemistry
Michael I. Bruce; Karine Costuas; Jean-François Halet; Ben C. Hall; Paul J. Low; Brian K. Nicholson; Brian W. Skelton; Allan H. White; J. Chem. Soc., Dalton Trans.  (2002) 383–398; doi:10.1039/b107929h

data_7011132
_publ_section_title
;
 Preparation of buta-1,3-diynyl complexes of platinum(II) and their use
 in the construction of neutral molecular squares: synthesis,
 structural and theoretical characterisation of
 cyclo-{Pt(\m-CCCC)(dppe)}4 and related chemistry
;
_journal_issue                   3
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              383
_journal_page_last               398
_journal_paper_doi               10.1039/b107929h
_journal_year                    2002
_chemical_formula_sum            'C20.5 H33 Cl P2 Pt'
_chemical_formula_weight         571.97
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_audit_creation_date             01-04-01
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   12.3036(8)
_cell_length_b                   12.3036(8)
_cell_length_c                   16.4550(10)
_cell_measurement_reflns_used    5486
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.4
_cell_measurement_theta_min      2.4
_cell_volume                     2490.9(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .026
_diffrn_reflns_av_sigmaI/netI    .034
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            26428
_diffrn_reflns_theta_max         29.05
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    5.87
_exptl_absorpt_correction_T_max  .894
_exptl_absorpt_correction_T_min  .523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_description       block
_exptl_crystal_F_000             1124
_exptl_crystal_size_max          .65
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .21
_refine_diff_density_max         .538
_refine_diff_density_min         -.478
_refine_ls_extinction_expression 'Eq22 p292 "Cryst. Comp." Munksgaard 1970'
_refine_ls_goodness_of_fit_all   1.234
_refine_ls_goodness_of_fit_ref   1.366
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     78
_refine_ls_number_reflns         1288
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .032
_refine_ls_R_factor_gt           .017
_refine_ls_shift/su_max          .037
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .036
_refine_ls_wR_factor_ref         .034
_reflns_d_resolution_high        .732
_reflns_d_resolution_low         9.834
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              16
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                1288
_reflns_number_total             1787
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b107929h.txt
_cod_data_source_block           br595
_cod_original_cell_volume        2490.9(4)
_cod_original_sg_symbol_Hall     -p_4ac_2a
_cod_original_sg_symbol_H-M      'p_42/n_m_c #:2'
_cod_original_formula_sum        'C20.5 H33 Cl1 P2 Pt1'
_cod_database_code               7011132