Crystallography Open Database

Information card for entry 7702576

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Coordinates	7702576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H86 Nb O2 P2
Calculated formula	C70 H98 Nb O2 P2
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	11.4726 ± 0.0017 Å
b	11.9803 ± 0.0019 Å
c	12.491 ± 0.003 Å
α	106.078 ± 0.016°
β	97.68 ± 0.016°
γ	111.58 ± 0.013°
Cell volume	1479.8 ± 0.6 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections included in the refinement	0.117
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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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