Crystallography Open Database

Information card for entry 7062849

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Coordinates	7062849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Mo O2
Calculated formula	C18 H14 Mo O2
Title of publication	Benz[e]indenyl and benz[f]indenyl molybdenum compounds: evidence of the η3-coordination mode
Authors of publication	Štěpán, Jiří; Vinklárek, Jaromír; Císařová, Ivana; Dostál, Libor; Honzíček, Jan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	46
Pages of publication	21396 - 21403
a	8.1572 ± 0.0003 Å
b	6.9602 ± 0.0003 Å
c	12.5929 ± 0.0005 Å
α	90°
β	93.328 ± 0.001°
γ	90°
Cell volume	713.77 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0164
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0404
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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