Crystallography Open Database

Information card for entry 7702574

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Coordinates	7702574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H78 Nb O2 Si3
Calculated formula	C75 H78 Nb O2 Si3
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	12.762 ± 0.0003 Å
b	18.0027 ± 0.0004 Å
c	28.8284 ± 0.0007 Å
α	90°
β	95.5229 ± 0.0014°
γ	90°
Cell volume	6592.6 ± 0.3 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.11
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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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