Crystallography Open Database

Information card for entry 7713833

Preview

Coordinates	7713833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H27 Cl Cr N2
Calculated formula	C17 H27 Cl Cr N2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Cr]2345(Cl)=C1N(C(=C(N1C)C)C)C)C)C)C)C
Title of publication	N Heterocyclic Carbene and Cyclic (Alkyl)(Amino)Carbene ligated Half-Sandwich Complexes of Chromium(II) and Chromium(I)
Authors of publication	Horrer, Günther; Luff, Martin Simon; Radius, Udo
Journal of publication	Dalton Transactions
Year of publication	2023
a	8.3556 ± 0.0002 Å
b	15.6072 ± 0.0004 Å
c	27.4722 ± 0.0006 Å
α	90°
β	91.1 ± 0.002°
γ	90°
Cell volume	3581.92 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0758
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
285917 (current)	2023-08-31	cif/ Adding structures of 7713823, 7713824, 7713825, 7713826, 7713827, 7713828, 7713829, 7713830, 7713831, 7713832, 7713833, 7713834, 7713835, 7713836 via cif-deposit CGI script.	7713833.cif