Crystallography Open Database

Information card for entry 4070620

Preview

Coordinates	4070620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 B N7 O Ru S3
Calculated formula	C17.994 H23.982 B N7 O Ru S3
Title of publication	Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)
Authors of publication	Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	381
a	14.3067 ± 0.0013 Å
b	13.3228 ± 0.001 Å
c	13.0886 ± 0.0011 Å
α	90°
β	91.665 ± 0.01°
γ	90°
Cell volume	2493.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178595 (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 4/07/06.	4070620.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070620.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070620.cif
42598	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070620 via cif-deposit CGI script.	4070620.cif