Crystallography Open Database

Information card for entry 4102090

4102089 << 4102090 >> 4102091

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Coordinates	4102090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H162 N2 P6 Sc2
Calculated formula	C97 H162 N2 P6 Sc2
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	34.304 ± 0.003 Å
b	19.0827 ± 0.0015 Å
c	16.479 ± 0.0013 Å
α	90°
β	112.102 ± 0.001°
γ	90°
Cell volume	9994.7 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1429
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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