Crystallography Open Database

Information card for entry 4080504

Preview

Coordinates	4080504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H74 B2 F24 N2 P Ru
Calculated formula	C65 H74 B2 F24 N2 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	12.7989 ± 0.0001 Å
b	26.3879 ± 0.0002 Å
c	20.0973 ± 0.0001 Å
α	90°
β	90.5439 ± 0.0003°
γ	90°
Cell volume	6787.28 ± 0.08 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	0.0838
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for all reflections	0.1556
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1556
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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.	4080504.cif
85943	2013-05-07	cif/ Adding structures of 4080501, 4080502, 4080503, 4080504, 4080505 via cif-deposit CGI script.	4080504.cif