3-(4-Pyridyl)-acetylacetone ‒ a fully featured substituted pyridine and a flexible linker for complex materials
Merkens, Carina; Truong, Khai-Nghi; Englert, Ulli; Acta Crystallographica Section B 70 (2014) 705–713; doi:10.1107/S2052520614006210

data_2105945
_publ_section_title
;
 3-(4-Pyridyl)-acetylacetone -- a fully featured substituted pyridine and
 a flexible linker for complex materials
;
_journal_coeditor_code           BM5063
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              705
_journal_page_last               713
_journal_paper_doi               10.1107/S2052520614006210
_journal_volume                  70
_journal_year                    2014
_chemical_formula_moiety         'C30 H33 Cd2 Cl4 N3 O6'
_chemical_formula_sum            'C30 H33 Cd2 Cl4 N3 O6'
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_diffrn_reflns_limit_h_min       -13
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_exptl_absorpt_correction_T_min  0.6318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_description       needle
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.290
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_exptl_crystal_size_min          0.060
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_refine_diff_density_min         -0.544
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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^)+(0.0241P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bm5063sup1.cif
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_cod_database_fobs_code          2105945
_shelx_estimated_absorpt_t_min   0.664
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