Crystallography Open Database

Information card for entry 4106220

Preview

Coordinates	4106220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H71 B2 F24 N P2 Ru
Calculated formula	C85 H71 B2 F24 N 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	17.7779 ± 0.0001 Å
b	12.4782 ± 0.0001 Å
c	35.9708 ± 0.0003 Å
α	90°
β	90.565 ± 0.0003°
γ	90°
Cell volume	7979.24 ± 0.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1072
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for all reflections	0.1374
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	0.9302
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.	4106220.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106220.cif
53018	2012-04-17	cif/ Adding structures of 4106220 via cif-deposit CGI script.	4106220.cif