Crystallography Open Database

Information card for entry 7062851

Preview

Coordinates	7062851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 B F4 Mo N6 O2
Calculated formula	C25 H19 B F4 Mo N6 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	31.3843 ± 0.0013 Å
b	9.9942 ± 0.0005 Å
c	17.0209 ± 0.0008 Å
α	90°
β	112.335 ± 0.002°
γ	90°
Cell volume	4938.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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