Crystallography Open Database

Information card for entry 7702552

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Coordinates	7702552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 B10 O4 P2 W
Calculated formula	C48 H50 B10 O4 P2 W
Title of publication	Monocarbollide complexes of molybdenum and tungsten: functionalization through reactions at a cage boron centre ‡
Authors of publication	Du, Shaowu; Franken, Andreas; Jelliss†, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.; Yu, Pui-Yin
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	12
Pages of publication	1846
a	10.298 ± 0.004 Å
b	10.916 ± 0.002 Å
c	23.439 ± 0.003 Å
α	78.861 ± 0.014°
β	83.08 ± 0.02°
γ	75.48 ± 0.02°
Cell volume	2495.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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