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_4346978
_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         'C78 H72 N24 Pd3, N2 O4, 4(N O3), 20(H2 O)'
_chemical_formula_sum            'C78 H112 N30 O36 Pd3'
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;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1050P)^2^+65.6216P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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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        12157.8(15)
_cod_database_code               4346978
_shelx_estimated_absorpt_t_min   0.977
_shelx_estimated_absorpt_t_max   0.986
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_shelx_res_checksum              34612
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