Crystallography Open Database

Information card for entry 1560855

Preview

Coordinates	1560855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si
Calculated formula	C73 H69 Br0.191 Cl0.809 Ge N Ni P3 Si
Title of publication	Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex
Authors of publication	Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	5582 - 5590
a	12.16 ± 0.002 Å
b	13.52 ± 0.003 Å
c	20.8 ± 0.004 Å
α	75.4 ± 0.03°
β	89 ± 0.03°
γ	70.9 ± 0.03°
Cell volume	3119.1 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
265933 (current)	2021-06-05	cif/ Updating files of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 Original log message: Adding full bibliography for 1560843--1560857.cif.	1560855.cif
262780	2021-03-06	cif/ Adding structures of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 via cif-deposit CGI script.	1560855.cif