Crystallography Open Database

Information card for entry 4075073

Preview

Coordinates	4075073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.25 H54 B O0.25 Ru
Calculated formula	C51.25 H53 B O0.25 Ru
Title of publication	Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes
Authors of publication	Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2344
a	11.4214 ± 0.0008 Å
b	12.2316 ± 0.0008 Å
c	16.3587 ± 0.0011 Å
α	99.684 ± 0.001°
β	103.762 ± 0.001°
γ	109.475 ± 0.001°
Cell volume	2014.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178639 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/50.	4075073.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075073.cif
49047	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075073 via cif-deposit CGI script.	4075073.cif