Crystallography Open Database

Information card for entry 4102091

4102090 << 4102091 >> 4102092

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Coordinates	4102091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H77 Br Li N P3 Sc
Calculated formula	C55 H77 Br Li N P3 Sc
Title of publication	Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates
Authors of publication	Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	3691 - 3693
a	12.396 ± 0.005 Å
b	14.179 ± 0.006 Å
c	15.666 ± 0.006 Å
α	95.417 ± 0.006°
β	93.967 ± 0.007°
γ	93.815 ± 0.007°
Cell volume	2727.2 ± 1.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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