Crystallography Open Database

Information card for entry 7011361

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Coordinates	7011361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H36 Cd6 N16 O5
Calculated formula	C26 H14 Cd6 N16
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	13.724 ± 0.004 Å
b	27.269 ± 0.006 Å
c	13.569 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5078 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1956
Goodness-of-fit parameter for significantly intense reflections	1.158
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
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011361.cif
179817	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/13.	7011361.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011361.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011361.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011361.cif