Crystallography Open Database

Information card for entry 4337472

Preview

Coordinates	4337472.cif
Original paper (by DOI)	HTML

Structure parameters

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	Probing hydrogen bond networks in half-sandwich Ru(II) building blocks by a combined 1H DQ CRAMPS solid-state NMR, XRPD, and DFT approach.
Authors of publication	Chierotti, Michele R.; Gobetto, Roberto; Nervi, Carlo; Bacchi, Alessia; Pelagatti, Paolo; Colombo, Valentina; Sironi, Angelo
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	139 - 146
a	14.7052 ± 0.001 Å
b	15.0862 ± 0.001 Å
c	7.72342 ± 0.00047 Å
α	90°
β	98.0455 ± 0.0038°
γ	90°
Cell volume	1696.54 ± 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
179477 (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 4/33/74.	4337472.cif
106396	2014-03-15	cif/ Adding structures of 4337471, 4337472 via cif-deposit CGI script.	4337472.cif