Covalent Postassembly Modification and Water Adsorption of Pd3 Self-Assembled Trinuclear Barrels.
Samanta, Dipak; Chowdhury, Aniket; Mukherjee, Partha Sarathi; Inorganic chemistry 55 (2016) 1562–1568; doi:10.1021/acs.inorgchem.5b02464

data_4346979
_publ_section_title
;
 Covalent Postassembly Modification and Water Adsorption of Pd3
 Self-Assembled Trinuclear Barrels.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1562
_journal_page_last               1568
_journal_paper_doi               10.1021/acs.inorgchem.5b02464
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C144 H114 N30 Pd3, 6(N O3), 64(H2 O)'
_chemical_formula_sum            'C144 H242 N36 O82 Pd3'
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_space_group_name_Hall           '-P 6c'
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_diffrn_source                   'fine-focus sealed tube'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        10177.1(8)
_cod_database_code               4346979
_shelx_estimated_absorpt_t_min   0.967
_shelx_estimated_absorpt_t_max   0.984
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_shelx_res_checksum              29079
_shelx_hkl_checksum              6768