Crystallography Open Database

Information card for entry 7129818

Preview

Coordinates	7129818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H39 Cl3 N3 V
Calculated formula	C33 H39 Cl3 N3 V
SMILES	[V](Cl)(Cl)(Cl)#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	12.08899 ± 0.00015 Å
b	19.34274 ± 0.00017 Å
c	14.78739 ± 0.00017 Å
α	90°
β	107.232 ± 0.0012°
γ	90°
Cell volume	3302.58 ± 0.07 Å³
Cell temperature	139.99 ± 0.1 K
Ambient diffraction temperature	139.99 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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

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