Crystallography Open Database

Information card for entry 7158098

Preview

Coordinates	7158098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 B12 I12 N6 P2 Zn
Calculated formula	C42 H48 B12 I12 N6 P2 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	22.1697 ± 0.0006 Å
b	14.6015 ± 0.0004 Å
c	23.0686 ± 0.0006 Å
α	90°
β	105.685 ± 0.001°
γ	90°
Cell volume	7189.5 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0458
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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.	7158098.cif
265494	2021-05-26	cif/ Adding structures of 7158095, 7158096, 7158097, 7158098 via cif-deposit CGI script.	7158098.cif