Crystallography Open Database

Information card for entry 7710802

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Coordinates	7710802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H52 N Nb
Calculated formula	C50 H52 N Nb
Title of publication	A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways
Authors of publication	de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.016 ± 0.0006 Å
b	11.6364 ± 0.0004 Å
c	20.0189 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3963.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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