Crystallography Open Database

Information card for entry 7711769

Preview

Coordinates	7711769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H29 Cl4 N3 W
Calculated formula	C26 H29 Cl4 N3 W
SMILES	[W](Cl)(Cl)(Cl)(Cl)([n]1ccccc1)=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C
Title of publication	N Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Molybdenum(IV) and Tungsten(IV)
Authors of publication	Luz, Christian; Glok, Eduard; Horrer, Günther; Radius, Udo
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.9513 ± 0.0002 Å
b	13.1018 ± 0.0002 Å
c	19.4111 ± 0.0003 Å
α	90°
β	94.394 ± 0.001°
γ	90°
Cell volume	2776.95 ± 0.08 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	0.0391
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
279275 (current)	2022-11-15	cif/ Adding structures of 7711756, 7711757, 7711758, 7711759, 7711760, 7711761, 7711762, 7711763, 7711764, 7711765, 7711766, 7711767, 7711768, 7711769, 7711770, 7711771 via cif-deposit CGI script.	7711769.cif