Crystallography Open Database

Information card for entry 7707720

Preview

Coordinates	7707720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H50.5 Cl3.5 P4 Rh2
Calculated formula	C60 H50.5 Cl3.5 P4 Rh2
Title of publication	Benzyne addition to a metal-carbon multiple bond.
Authors of publication	Barnett, Harrison J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	27
Pages of publication	9383 - 9387
a	14.9951 ± 0.0001 Å
b	14.9951 ± 0.0001 Å
c	26.1521 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5880.38 ± 0.11 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268731 (current)	2021-09-06	cif/ Updating files of 7707720, 7707721 Original log message: Adding full bibliography for 7707720--7707721.cif.	7707720.cif
266669	2021-06-25	cif/ Adding structures of 7707720, 7707721 via cif-deposit CGI script.	7707720.cif