Crystallography Open Database

Information card for entry 4339962

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Coordinates	4339962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H126 K4 N2 O4
Calculated formula	C103 H126 K4 N2 O4
Title of publication	Methylene-Linked Anilide-Bis(aryloxide) Ligands: Lithium, Sodium, Potassium, Chromium(III), and Vanadium(III) Ligation.
Authors of publication	Ishida, Yutaka; Kawaguchi, Hiroyuki
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	6775 - 6787
a	14.879 ± 0.0006 Å
b	19.6314 ± 0.0008 Å
c	32.3606 ± 0.0014 Å
α	90°
β	96.914 ± 0.002°
γ	90°
Cell volume	9383.7 ± 0.7 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339962.cif
121159	2014-08-05	cif/ Updating files of 4339961, 4339962, 4339963, 4339964, 4339965, 4339966, 4339967, 4339968, 4339969, 4339970, 4339971 Original log message: Adding full bibliography for 4339961--4339971.cif.	4339962.cif
117809	2014-06-18	cif/ Adding structures of 4339961, 4339962, 4339963, 4339964, 4339965, 4339966, 4339967, 4339968, 4339969, 4339970, 4339971 via cif-deposit CGI script.	4339962.cif