Crystallography Open Database

Information card for entry 7158097

Preview

Coordinates	7158097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl2 N3 P Zn
Calculated formula	C21 H24 Cl2 N3 P Zn
SMILES	[Zn]1(Cl)([P](Cc2cccc(C)n2)(Cc2cccc(C)n2)Cc2cccc(C)[n]12)Cl
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	7.9597 ± 0.0006 Å
b	20.1364 ± 0.0017 Å
c	13.5168 ± 0.001 Å
α	90°
β	96.857 ± 0.004°
γ	90°
Cell volume	2151 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.049
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0961
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	7158097.cif
265494	2021-05-26	cif/ Adding structures of 7158095, 7158096, 7158097, 7158098 via cif-deposit CGI script.	7158097.cif