Crystallography Open Database

Information card for entry 4106222

Preview

Coordinates	4106222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H70 B F25 N2 P2 Ru
Calculated formula	C69 H70 B F25 N2 P2 Ru
Title of publication	Probing the Intrinisic Structure and Dynamics of Aminoborane Coordination at Late Transition Metal Centers: Mono(σ-BH) Binding in [CpRu(PR3)2(H2BNCy2)]+
Authors of publication	Dragoslav Vidovic; David A. Addy; Tobias Krämer; John McGrady; Simon Aldridge
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8494 - 8497
a	12.8044 ± 0.0002 Å
b	24.7611 ± 0.0004 Å
c	22.1693 ± 0.0003 Å
α	90°
β	93.5095 ± 0.001°
γ	90°
Cell volume	7015.62 ± 0.18 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	0.1407
Residual factor for significantly intense reflections	0.108
Weighted residual factors for all reflections	0.3318
Weighted residual factors for significantly intense reflections	0.2855
Weighted residual factors for all reflections included in the refinement	0.3318
Goodness-of-fit parameter for all reflections included in the refinement	0.9759
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.	4106222.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106222.cif
53020	2012-04-17	cif/ Adding structures of 4106222 via cif-deposit CGI script.	4106222.cif