Methacrylate Insertion into Cationic Diimine Palladium(II)−Alkyl Complexes and the Synthesis of Poly(alkene-block-alkene/carbon monoxide) Copolymers
Borkar, Sachin; Yennawar, Hemant; Sen, Ayusman; Organometallics 26 (2007) 4711–; doi:10.1021/om7006024

data_4073751
_publ_section_title
;
 Methacrylate Insertion into Cationic Diimine Palladium(II)&#x2212;Alkyl
 Complexes and the Synthesis of Poly(alkene-block-alkene/carbon monoxide)
 Copolymers
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4711
_journal_paper_doi               10.1021/om7006024
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C34 H51 N2 O2 Pd, C32 H15 B F24'
_chemical_formula_sum            'C66 H66 B F24 N2 O2 Pd'
_chemical_formula_weight         1492.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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-97
_cell_angle_alpha                80.888(7)
_cell_angle_beta                 74.034(7)
_cell_angle_gamma                81.154(7)
_cell_formula_units_Z            2
_cell_length_a                   12.724(5)
_cell_length_b                   15.191(6)
_cell_length_c                   18.227(7)
_cell_measurement_reflns_used    7711
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.273
_cell_measurement_theta_min      2.727
_cell_volume                     3322(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.938
_diffrn_measured_fraction_theta_max 0.938
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0596
_diffrn_reflns_av_sigmaI/netI    0.1506
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30777
_diffrn_reflns_theta_full        28.60
_diffrn_reflns_theta_max         28.60
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_T_max  0.936
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1518
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.347
_refine_diff_density_min         -1.243
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     878
_refine_ls_number_reflns         15970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1408
_refine_ls_R_factor_gt           0.0898
_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^)+(0.0000P)^2^+12.2938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1817
_refine_ls_wR_factor_ref         0.2066
_reflns_number_gt                10264
_reflns_number_total             15970
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7006024-file003.cif
_cod_data_source_block           svb25s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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-1
_cod_database_code               4073751