Palladium Complexes with the Tridentate Dianionic Ligand Pyridine-2,6-dicarboxylate, dipic. Crystal Structure of [Pd(dipic)(PBu3)]2
Pablo Espinet; Jesús A. Miguel; Santiago García-Granda; Daniel Miguel; Inorganic Chemistry 35 (1996) 2287–2291; doi:10.1021/ic951024n

data_4323798
_publ_contact_author
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     S. Garc\'ia-Granda
     Departamento de Qu\'imica F\'isica y Anal\'itica
     Facultad de Qu\'imica
     Universidad de Oviedo
     33006 Oviedo (ASTURIAS)
     SPAIN
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_publ_contact_author_email       SGG@dwarf1.quimica.uniovi.es
_publ_contact_author_fax         +34-8-5103480
_publ_contact_author_phone       +34-8-5103477
_publ_section_title
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 Palladium Complexes with the Tridentate Dianionic Ligand
 Pyridine-2,6-dicarboxylate, dipic. Crystal Structure of
 [Pd(dipic)(PBu3)]2
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_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2287
_journal_page_last               2291
_journal_paper_doi               10.1021/ic951024n
_journal_volume                  35
_journal_year                    1996
_chemical_compound_source        synthesis
_chemical_formula_analytical     'C 38 H 60 N 2 O 8 P 2 PD 2'
_chemical_formula_sum            'C38 H60 N2 O8 P2 Pd2'
_chemical_formula_weight         947.65
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_cell_angle_gamma                90.00
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_cell_length_a                   18.115(4)
_cell_length_b                   13.191(2)
_cell_length_c                   19.571(3)
_cell_measurement_radiation      MoK/a
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_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      15
_cell_measurement_wavelength     0.71073
_cell_volume                     4290.3(15)
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_computing_structure_refinement  'SHELXL-76 (Sheldrick, 1976)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_method       '/w-2/Q scan technique'
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_diffrn_standards_decay_%        4.23
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.9474
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_exptl_absorpt_correction_T_min  95.91
_exptl_absorpt_correction_type   'DIFABS (Walker and Stuart, 1983)'
_exptl_crystal_colour            yellow
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_refine_ls_weighting_details     w=2.0645/[\s^2^(F)+0.0003(F^2^)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.054
_reflns_d_resolution_high        0.8418
_reflns_number_observed          5093
_reflns_number_total             8495
_reflns_observed_criterion       >3sigma(I)
_cod_data_source_file            ic951024n.cif
_cod_data_source_block           IC951024N(JPBU3)
_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'no' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=2.0645/[\s^2^(F)+0.0003(F^2^)]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=2.0645/[\s^2^(F)+0.0003(F^2^)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        4290(1)
_cod_database_code               4323798