Crystallography Open Database

Information card for entry 7010227

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Coordinates	7010227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H68 N6 Nb2
Calculated formula	C58 H68 N6 Nb2
Title of publication	Niobium‒η-cyclopentadienyl compounds with imido and amido ligands derived from 2,6-dimethylaniline
Authors of publication	Humphries, Martin J.; Green, Malcolm L. H.; Douthwaite, Richard E.; Rees, Leigh H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	24
Pages of publication	4555
a	7.969 ± 0.01 Å
b	17.246 ± 0.02 Å
c	18.845 ± 0.01 Å
α	76.26 ± 0.06°
β	89.6 ± 0.03°
γ	89.97 ± 0.05°
Cell volume	2516 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for all reflections	0.1551
Weighted residual factors for significantly intense reflections	0.1319
Goodness-of-fit parameter for all reflections	1.437
Goodness-of-fit parameter for significantly intense reflections	1.43
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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