Crystallography Open Database

Information card for entry 4080502

Preview

Coordinates	4080502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H58 B2 F24 N P Ru
Calculated formula	C66 H58 B2 F24 N P Ru
Title of publication	Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation
Authors of publication	Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	6
Pages of publication	1583
a	12.8893 ± 0.0002 Å
b	13.6791 ± 0.0003 Å
c	18.9851 ± 0.0004 Å
α	91.1751 ± 0.0009°
β	90.1685 ± 0.001°
γ	90.5343 ± 0.0008°
Cell volume	3346.47 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1126
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for all reflections	0.1767
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1767
Goodness-of-fit parameter for all reflections included in the refinement	0.9332
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4080502.cif
85943	2013-05-07	cif/ Adding structures of 4080501, 4080502, 4080503, 4080504, 4080505 via cif-deposit CGI script.	4080502.cif