Crystallography Open Database

Information card for entry 7112868

Preview

Coordinates	7112868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53 P2 Ru
Calculated formula	C50 H53 P2 Ru
Title of publication	The [2+2] cycloaddition of alkynes at a Ru-P pi-bond.
Authors of publication	Derrah, Eric J.; McDonald, Robert; Rosenberg, Lisa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4592 - 4594
a	10.1439 ± 0.0009 Å
b	20.4714 ± 0.0018 Å
c	19.6785 ± 0.0018 Å
α	90°
β	104.506 ± 0.0014°
γ	90°
Cell volume	3956.2 ± 0.6 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
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	0.0391
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112868.cif
112133	2014-04-29	cif/ Adding structures of 7112868, 7112869 via cif-deposit CGI script.	7112868.cif