Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization
Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko; Organometallics 27 (2008) 5347–; doi:10.1021/om800566j

data_4072070
_publ_section_title
;
 Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated
 withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the
 Ester-Substituted Norbornene Polymerization
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5347
_journal_paper_doi               10.1021/om800566j
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C22 H42 Cl O2 P Pd'
_chemical_formula_weight         511.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
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_cell_angle_beta                 116.3130(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.573(5)
_cell_length_b                   14.203(5)
_cell_length_c                   14.125(5)
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_cell_measurement_temperature    103.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.1387
_cell_volume                     2440.8(15)
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_molecular_graphics    ORTEP-III
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'RIGAKU/MSC Meacury CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_min         3.14
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.9111
_exptl_absorpt_correction_T_min  0.7973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0588P)^2^+7.0812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1235
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_reflns_number_gt                3708
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800566j_si_001.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_cell_volume        2440.9(15)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4072070