Crystallography Open Database

Information card for entry 7057306

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Coordinates	7057306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 Cl6 N2 W
Calculated formula	C25 H35 Cl6 N2 W
Title of publication	Activation of CN bonds by high-valent group 6 metal chlorides, including the conversion of an α-diimine into a functionalized imidazolium
Authors of publication	Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8503
a	9.561 ± 0.0005 Å
b	15.4452 ± 0.0008 Å
c	19.6813 ± 0.0011 Å
α	90°
β	97.79 ± 0.002°
γ	90°
Cell volume	2879.5 ± 0.3 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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