4:1 Lewis Base Adducts of Palladium Dichloride: [Pd(3-picoline)~4~]Cl~2~.2H~2~O
Chen, Wei; Liu, Cai-ming; Xiong, Ren-gen; You, Xiao-zeng; Acta Crystallographica Section C 53 (1997) 1218–1220; doi:10.1107/S0108270197002576

data_2006500
_publ_section_title
;
 4:1 Lewis Base Adducts of Palladium Dichloride:
 [Pd(3-picoline)~4~]Cl~2~.2H~2~O
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1218
_journal_page_last               1220
_journal_paper_doi               10.1107/S0108270197002576
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          '[Pd (C6 H7 N)4] Cl2, 2H2 O'
_chemical_formula_moiety         'Pd (C6 H7 N)4 Cl2, 2H2 O'
_chemical_formula_sum            'C24 H32 Cl2 N4 O2 Pd'
_chemical_formula_weight         585.84
_chemical_name_systematic
;
 Tetrakis(3-picoline)palladium(II) chloride trihydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_computing_cell_refinement       'CAD-4 VAX/PC Operator's Manual'
_computing_data_collection
'CAD-4 VAX/PC Operator's Manual (Enraf-Nonius, 1988)'
_computing_data_reduction
'NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1990b)'
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_computing_structure_solution    'SHELXS86 (Sheldrick, 1990a)'
_diffrn_ambient_temperature      300(2)
_diffrn_measurement_device       'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_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  0.025
_diffrn_reflns_av_sigmaI/netI    0.0121
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2561
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_diffrn_reflns_theta_min         2.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.903
_exptl_absorpt_correction_T_max  0.697
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   '\y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    none
_exptl_crystal_description       irregular
_exptl_crystal_F_000             300
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
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_refine_diff_density_max         0.943
_refine_diff_density_min         -0.634
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         2395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_restrained_S_obs      1.113
_refine_ls_R_factor_all          0.032
_refine_ls_R_factor_obs          .032
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0639P)^2^+0.1347P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.083
_refine_ls_wR_factor_obs         .083
_reflns_number_observed          2358
_reflns_number_total             2395
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz1170.cif
_cod_data_source_block           xrg8
_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_enum 1527 2010-12-29 10:47:43Z saulius 
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_cod_database_code               2006500