Crystallography Open Database

Information card for entry 1560852

Preview

Coordinates	1560852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H83 Cl Ge N Ni O P3 Si
Calculated formula	C71 H83 Cl Ge N Ni O P3 Si
SMILES	[Ge]1([Ni]([P](c2ccccc2)(C[Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.C(OCC)C
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	17.37 ± 0.004 Å
b	19.77 ± 0.004 Å
c	19.41 ± 0.004 Å
α	90°
β	102.7 ± 0.03°
γ	90°
Cell volume	6502 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0628
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
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.	1560852.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.	1560852.cif