Crystallography Open Database

Information card for entry 7706446

Preview

Coordinates	7706446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H53 B Bi Cl2 F15 N2
Calculated formula	C63 H53 B Bi Cl2 F15 N2
Title of publication	Stabilization of a bismuth-bismuth double bond by anionic N-heterocyclic carbenes.
Authors of publication	Ho, Luong Phong; Tamm, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	4
Pages of publication	1202 - 1205
a	15.9856 ± 0.0004 Å
b	12.4306 ± 0.0002 Å
c	29.7067 ± 0.0006 Å
α	90°
β	97.483 ± 0.002°
γ	90°
Cell volume	5852.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.242
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
261651 (current)	2021-02-05	cif/ Updating files of 7706446, 7706447 Original log message: Adding full bibliography for 7706446--7706447.cif.	7706446.cif
261072	2021-01-20	cif/ Adding structures of 7706446, 7706447 via cif-deposit CGI script.	7706446.cif