Crystallography Open Database

Information card for entry 4108620

Preview

Coordinates	4108620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.28 H47.28 N P2 Sc
Calculated formula	C35.266 H47.266 N P2 Sc
Title of publication	Lewis Acid Stabilized Methylidene and Oxoscandium Complexes
Authors of publication	Jennifer Scott; Hongjun Fan; Benjamin F. Wicker; Alison R. Fout; Mu-Hyun Baik; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14438 - 14439
a	7.4389 ± 0.0003 Å
b	30.738 ± 0.0012 Å
c	15.2729 ± 0.0006 Å
α	90°
β	91.338 ± 0.001°
γ	90°
Cell volume	3491.3 ± 0.2 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	0.0521
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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