Crystallography Open Database

Information card for entry 1560846

Preview

Coordinates	1560846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H78 Br6 Ge2 N2 Ni2 P2 Si2
Calculated formula	C74 H78 Br6 Ge2 N2 Ni2 P2 Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N1[Ge](Br)(Br)[Ni]2([P](C[Si]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br][Ni]1([P](C[Si](N(c3c(cccc3C(C)C)C(C)C)[Ge]1(Br)Br)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Br]2
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	40.613 ± 0.008 Å
b	9.87 ± 0.002 Å
c	23.16 ± 0.005 Å
α	90°
β	101.59 ± 0.03°
γ	90°
Cell volume	9094 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1402
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	1560846.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.	1560846.cif