Crystallography Open Database

Information card for entry 4132999

Preview

Coordinates	4132999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 B Mn N2 O2 Te2
Calculated formula	C16 H22 B Mn N2 O2 Te2
SMILES	[Te]1[B]([Te]1[Mn]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(=C1N(C=CN1C)C)C(C)(C)C
Title of publication	A Boradiselenirane and a Boraditellurirane: Isolable Heavy Analogs of Dioxiranes and Dithiiranes.
Authors of publication	Liu, Siyuan; Légaré, Marc-André; Hofmann, Alexander; Braunschweig, Holger
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	36
Pages of publication	11223 - 11226
a	9.051 ± 0.0013 Å
b	9.9167 ± 0.0012 Å
c	21.724 ± 0.004 Å
α	90°
β	90.139 ± 0.007°
γ	90°
Cell volume	1949.9 ± 0.5 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	0.0168
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0383
Goodness-of-fit parameter for all reflections included in the refinement	1.197
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
242851 (current)	2019-11-26	cif/ Adding structures of 4132999 via cif-deposit CGI script.	4132999.cif