Nucleophilic Attack of Amides onto Coordinated Ethylene in Platinum Complexes Supported by a Chelating Pyridyl−Pyrrolide Ligand: Azaplatinacyclobutane and Vinylamine Complexes
McBee, Jennifer L.; Tilley, T. Don; Organometallics 29 (2010) 184–; doi:10.1021/om900569b

data_4067258
_publ_section_title
;
 Nucleophilic Attack of Amides onto Coordinated Ethylene in Platinum
 Complexes Supported by a Chelating Pyridyl&#x2212;Pyrrolide Ligand:
 Azaplatinacyclobutane and Vinylamine Complexes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              184
_journal_paper_doi               10.1021/om900569b
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C31 H29 N3 Pt, C5 H12'
_chemical_formula_sum            'C36 H41 N3 Pt'
_chemical_formula_weight         710.80
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3751(19)
_cell_length_b                   11.466(2)
_cell_length_c                   28.096(6)
_cell_measurement_reflns_used    1184
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      18.21
_cell_measurement_theta_min      2.38
_cell_volume                     3003.5(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD Area Detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_sigmaI/netI    0.1100
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            12817
_diffrn_reflns_theta_full        24.74
_diffrn_reflns_theta_max         24.74
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    4.692
_exptl_absorpt_correction_T_max  .720
_exptl_absorpt_correction_T_min  .644
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs, 2004'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1256
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .08
_exptl_crystal_size_min          .07
_refine_diff_density_max         3.032
_refine_diff_density_min         -1.388
_refine_diff_density_rms         0.186
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5043
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0565P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                3294
_reflns_number_total             5043
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900569b_si_002.cif
_cod_data_source_block           jlm52s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4067258