Crystallography Open Database

Information card for entry 7711770

Preview

Coordinates	7711770.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Cl4 N4 W
Calculated formula	C48 H54 Cl4 N4 W
SMILES	[W](Cl)(Cl)(Cl)(Cl)(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
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	12.5166 ± 0.0001 Å
b	12.6137 ± 0.0001 Å
c	15.2964 ± 0.0001 Å
α	76.148 ± 0.001°
β	81.794 ± 0.001°
γ	75.425 ± 0.001°
Cell volume	2260.55 ± 0.03 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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