Crystallography Open Database

Information card for entry 4077466

Preview

Coordinates	4077466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H39 B9 Cl2 N O P Ru
Calculated formula	C29 H39 B9 Cl2 N 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	10.5524 ± 0.0014 Å
b	21.874 ± 0.003 Å
c	16.108 ± 0.0011 Å
α	90°
β	102.821 ± 0.008°
γ	90°
Cell volume	3625.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0572
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	4077466.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077466.cif
54584	2012-04-28	cif/ Adding structures of 4077464, 4077465, 4077466, 4077467, 4077468 via cif-deposit CGI script.	4077466.cif