Crystallography Open Database

Information card for entry 7011358

Preview

Coordinates	7011358.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 Cd5 Cl3 N14
Calculated formula	C28 H20 Cd5 Cl3 N13
Title of publication	Polycyano‒polycadmate host clathrates including a methylviologen dication. Syntheses, crystal structures and photo-induced reduction of methylviologen dication
Authors of publication	Yoshikawa, Hirofumi; Nishikiori, Shin-ichi; Watanabe, Tokuko; Ishida, Toshimasa; Watanabe, Go; Murakami, Makoto; Suwinska, Kinga; Luboradzki, Roman; Lipkowski, Janusz
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	9
Pages of publication	1907
a	10.946 ± 0.003 Å
b	23.705 ± 0.003 Å
c	15.847 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4111.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	53
Hermann-Mauguin space group symbol	P n c m
Hall space group symbol	-P 2 2bc
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1356
Goodness-of-fit parameter for significantly intense reflections	1.098
Diffraction radiation wavelength	0.71069 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.	7011358.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011358.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011358.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011358.cif