Crystallography Open Database

Information card for entry 7702564

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Coordinates	7702564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H54 I3 Nb O2
Calculated formula	C72 H54 I3 Nb O2
Title of publication	Studies of the alkylation of niobium and tantalum halides containing 2,6-diarylphenoxide ancillary ligation
Authors of publication	Schweiger, Scott W.; Salberg, Michelle M.; Pulvirenti, April L.; Freeman, Emily E.; Fanwick, Phillip E.; Rothwell, Ian P.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	13
Pages of publication	2020
a	25.7491 ± 0.0008 Å
b	7.9562 ± 0.0003 Å
c	19.5543 ± 0.0006 Å
α	90°
β	125.809 ± 0.0016°
γ	90°
Cell volume	3248.7 ± 0.2 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for significantly intense reflections	0.051
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MO-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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