Crystallography Open Database

Information card for entry 4077467

Preview

Coordinates	4077467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46 B9 O P Ru
Calculated formula	C33 H46 B9 O P Ru
Title of publication	Studies with the Ruthenacarborane Complex [Ru(CO)(PPh3)(THF)(η5-7,8-C2B9H11)]: Reactions with Terminal Alkynes†
Authors of publication	Du, Shaowu; Ellis, Dianne D.; Jelliss, Paul A.; Kautz, Jason A.; Malget, John M.; Stone, F. Gordon A.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	10
Pages of publication	1983
a	15.1493 ± 0.0011 Å
b	19.5483 ± 0.0016 Å
c	24.609 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7287.8 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1636
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178663 (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 4/07/74.	4077467.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077467.cif
54584	2012-04-28	cif/ Adding structures of 4077464, 4077465, 4077466, 4077467, 4077468 via cif-deposit CGI script.	4077467.cif