Crystallography Open Database

Information card for entry 4103078

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Coordinates	4103078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H80 Cl4 O7 P4 S4 Sc4
Calculated formula	C66 H72 Cl4 O6 P4 S4 Sc4
Title of publication	Nucleophilic Scandium Carbene Complexes
Authors of publication	Marie Fustier; Xavier F. Le Goff; Pascal Le Floch; Nicolas Mézailles
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13108 - 13110
a	11.473 ± 0.001 Å
b	11.567 ± 0.001 Å
c	17.119 ± 0.001 Å
α	75.186 ± 0.001°
β	75.057 ± 0.001°
γ	79.232 ± 0.001°
Cell volume	2104.2 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0714
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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