Palladium Catalysts for Norbornene Polymerization. A Study by NMR and Calorimetric Methods
Casares, Juan A.; Espinet, Pablo; Salas, Gorka; Organometallics 27 (2008) 3761–; doi:10.1021/om800264a

data_4071602
_publ_section_title
;
 Palladium Catalysts for Norbornene Polymerization. A Study by NMR and
 Calorimetric Methods
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3761
_journal_paper_doi               10.1021/om800264a
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C44 H23 As2 B Cl4 F15 N Pd'
_chemical_formula_weight         1259.48
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
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_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                 104.720(6)
_cell_angle_gamma                90.00
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_cell_length_b                   13.568(3)
_cell_length_c                   25.932(6)
_cell_measurement_temperature    298(2)
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_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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
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_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    2.072
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.776542
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.745
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             2456
_exptl_crystal_size_max          0.23
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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^)+(0.0373P)^2^+2.6170P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                5203
_reflns_number_total             6875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800264a-file003.cif
_cod_data_source_block           go154m
_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_cell_volume        4793.0(19)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4071602