Crystallography Open Database

Information card for entry 7120979

7120978 << 7120979 >> 7120980

Preview

Coordinates	7120979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 B N7 O2 Te W
Calculated formula	C26 H42 B N7 O2 Te W
SMILES	[Te]#C[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O].[N+](CC)(CC)(CC)CC
Title of publication	Bis(alkylidynyl)tellurides and ditellurides
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2018
Journal volume	54
Journal issue	14
Pages of publication	1702 - 1705
a	10.0038 ± 0.0006 Å
b	10.0481 ± 0.0006 Å
c	16.8445 ± 0.0011 Å
α	96.049 ± 0.004°
β	93.448 ± 0.003°
γ	111.328 ± 0.004°
Cell volume	1559.57 ± 0.17 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.0681
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections	0.1168
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.0384
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
210834 (current)	2018-09-11	cif/7/12/ Updating bibliography in entries 7120979-7120982, 7121272.	7120979.cif
204198	2017-12-13	cif/ Adding structures of 7120979, 7120980, 7120981, 7120982 via cif-deposit CGI script.	7120979.cif