Crystallography Open Database

Information card for entry 7042720

Preview

Coordinates	7042720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Bi Br
Calculated formula	C20 H30 Bi Br
SMILES	[Bi](Br)(C1C2CC3CC(CC1C3)C2)C1C2CC3CC(CC1C3)C2
Title of publication	Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations
Authors of publication	Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner
Journal of publication	Dalton Trans.
Year of publication	2017
a	25.362 ± 0.002 Å
b	6.4647 ± 0.0005 Å
c	21.7366 ± 0.0016 Å
α	90°
β	93.377 ± 0.003°
γ	90°
Cell volume	3557.7 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7042720.html