Crystallography Open Database

Information card for entry 7206120

7206119 << 7206120 >> 7206121

Preview

Coordinates	7206120.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((eta6-p-cymene)Ru(ii)Cl2(isonicotinic acid))
Chemical name	[(eta6-p-cymene)Ru(II)Cl2(isonicotinic acid)]
Formula	C16 H19 Cl2 N O2 Ru
Calculated formula	C16 H19 Cl2 N O2 Ru
Title of publication	Water vapour uptake and extrusion by a crystalline metallorganic solid based on half-sandwich Ru(ii) building-blocks
Authors of publication	Bacchi, Alessia; Cantoni, Giulia; Chierotti, Michele R.; Girlando, Alberto; Gobetto, Roberto; Lapadula, Giuseppe; Pelagatti, Paolo; Sironi, Angelo; Zecchini, Matteo
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	13
Pages of publication	4365
a	14.7083 ± 0.001 Å
b	15.0887 ± 0.001 Å
c	7.72552 ± 0.00049 Å
α	90°
β	98.0506 ± 0.004°
γ	90°
Cell volume	1697.62 ± 0.19 Å³
Cell temperature	373 K
Ambient diffraction temperature	373 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Goodness-of-fit parameter for all reflections	2.34
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα11.54056CuKα21.54439
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180392 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61.	7206120.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206120.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206120.cif
23523	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206118, 7206119, 7206120 via cif-deposit CGI script.	7206120.cif