Crystallography Open Database

Information card for entry 4084917

Preview

Coordinates	4084917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H88 B Cl O P3 Rh
Calculated formula	C67 H88 B Cl O P3 Rh
Title of publication	Synthesis of Phosphonium-Substituted Vinylidene Complexes from [HC\τb CCH2PPh3]+: Exploring the Competition between Allene and Vinylidene Formation.
Authors of publication	Smith, Elizabeth J.; Pridmore, Natalie E.; Whitwood, Adrian C.; Lynam, Jason M.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7260
a	11.6846 ± 0.0004 Å
b	12.6788 ± 0.0004 Å
c	21.6243 ± 0.0008 Å
α	99.684 ± 0.003°
β	90.372 ± 0.003°
γ	106.822 ± 0.003°
Cell volume	3017.62 ± 0.19 Å³
Cell temperature	110 ± 0.14 K
Ambient diffraction temperature	110 ± 0.14 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation probe	x-ray
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
178738 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/49.	4084917.cif
131455	2015-02-07	cif/ Updating files of 4084912, 4084913, 4084914, 4084915, 4084916, 4084917 Original log message: Adding full bibliography for 4084912--4084917.cif.	4084917.cif
128440	2014-12-06	cif/ Adding structures of 4084912, 4084913, 4084914, 4084915, 4084916, 4084917 via cif-deposit CGI script.	4084917.cif