Crystallography Open Database

Information card for entry 7129821

Preview

Coordinates	7129821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H57 Cl2 N4 Si2 V
Calculated formula	C39 H57 Cl2 N4 Si2 V
SMILES	[V](Cl)(Cl)(N([Si](C)(C)C)[Si](C)(C)C)#Cc1[n+](nn(c1c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Vanadium complexes with N-heterocyclic vinylidene ligands
Authors of publication	Kooij, Bastiaan; Dong, Zhaowen; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Piveteau, Laura; Severin, Kay
Journal of publication	Chemical Communications
Year of publication	2022
a	15.1641 ± 0.0002 Å
b	12.35741 ± 0.00014 Å
c	24.0239 ± 0.0003 Å
α	90°
β	107.882 ± 0.0014°
γ	90°
Cell volume	4284.32 ± 0.1 Å³
Cell temperature	140 ± 0.1 K
Ambient diffraction temperature	140 ± 0.1 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273666 (current)	2022-03-12	cif/ Adding structures of 7129818, 7129819, 7129820, 7129821, 7129822, 7129823 via cif-deposit CGI script.	7129821.cif