Crystallography Open Database

Information card for entry 7158096

Preview

Coordinates	7158096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 B12 I12 N6 Zn
Calculated formula	C12 H18 B12 I12 N6 Zn
Title of publication	An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.
Authors of publication	Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	25
Pages of publication	5544 - 5550
a	11.8876 ± 0.0013 Å
b	11.8876 ± 0.0013 Å
c	27.431 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	3357.1 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0413
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
267240 (current)	2021-07-05	cif/ Updating files of 7158095, 7158096, 7158097, 7158098 Original log message: Adding full bibliography for 7158095--7158098.cif.	7158096.cif
265494	2021-05-26	cif/ Adding structures of 7158095, 7158096, 7158097, 7158098 via cif-deposit CGI script.	7158096.cif