Crystallography Open Database

Information card for entry 4080503

Preview

Coordinates	4080503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H63 B2 F24 N P2 Ru
Calculated formula	C79 H63 B2 F24 N P2 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	20.0982 ± 0.0002 Å
b	16.8675 ± 0.0002 Å
c	22.0476 ± 0.0003 Å
α	90°
β	94.1089 ± 0.0006°
γ	90°
Cell volume	7455.07 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0722
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for all reflections	0.13
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4080503.cif
85943	2013-05-07	cif/ Adding structures of 4080501, 4080502, 4080503, 4080504, 4080505 via cif-deposit CGI script.	4080503.cif