Crystallography Open Database

Information card for entry 7240352

Preview

Coordinates	7240352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Bi I
Calculated formula	C24 H19 Bi I
SMILES	c1(ccccc1c1ccccc1)[BiH](c1ccccc1c1ccccc1)I
Title of publication	Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.
Authors of publication	Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2020
Journal volume	22
Journal issue	18
Pages of publication	10189 - 10211
a	9.3194 ± 0.0009 Å
b	9.6034 ± 0.0009 Å
c	12.8339 ± 0.0012 Å
α	108.743 ± 0.003°
β	99.713 ± 0.003°
γ	103.712 ± 0.003°
Cell volume	1018.57 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1411
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
253998 (current)	2020-07-06	cif/ Updating files of 7240350, 7240351, 7240352, 7240353, 7240354, 7240355, 7240356, 7240357, 7240358 Original log message: Adding full bibliography for 7240350--7240358.cif.	7240352.cif
250973	2020-04-21	cif/ Adding structures of 7240350, 7240351, 7240352, 7240353, 7240354, 7240355, 7240356, 7240357, 7240358 via cif-deposit CGI script.	7240352.cif