Crystallography Open Database

Information card for entry 7204130

7204129 << 7204130 >> 7204131

Preview

Coordinates	7204130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 Ca N3 Ni2 O5 S20
Calculated formula	C28 Ca N4 Ni2 O4 S20
Title of publication	Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts
Authors of publication	Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio
Journal of publication	Journal of Materials Chemistry
Year of publication	2001
Journal volume	11
Journal issue	9
Pages of publication	2118
a	15.598 ± 0.003 Å
b	15.5975 Å
c	10.222 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2486.9 ± 1.1 Å³
Cell temperature	296.1 K
Number of distinct elements	7
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.081
Goodness-of-fit parameter for significantly intense reflections	3.47
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7204130.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204130.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204130.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204130.cif