Crystallography Open Database

Information card for entry 7028819

Preview

Coordinates	7028819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H73 F12 N11 O6 P2 Re2
Calculated formula	C66 H73 F12 N11 O6 P2 Re2
Title of publication	Synthesis and characterisation of chelated cationic ReI(CO)3bis(NHC)(WCA) complexes.
Authors of publication	Hock, Sebastian J.; Schaper, Lars-Arne; Pöthig, Alexander; Drees, Markus; Herdtweck, Eberhardt; Hiltner, Oliver; Herrmann, Wolfgang A.; Kühn, Fritz E
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2259 - 2271
a	9.8542 ± 0.0001 Å
b	24.3821 ± 0.0003 Å
c	29.5971 ± 0.0004 Å
α	90°
β	96.311 ± 0.001°
γ	90°
Cell volume	7068.08 ± 0.15 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028819.cif
105436	2014-03-12	cif/ Adding structures of 7028817, 7028818, 7028819, 7028820, 7028821, 7028822 via cif-deposit CGI script.	7028819.cif