Crystallography Open Database

Information card for entry 4134830

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Coordinates	4134830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H79 Cr3 Si3
Calculated formula	C42 H79 Cr3 Si3
Title of publication	Dinitrogen Activation and Hydrogenation by C<sub>5</sub>Me<sub>4</sub>SiMe<sub>3</sub>-Ligated Di- and Trinuclear Chromium Hydride Complexes.
Authors of publication	Shima, Takanori; Yang, Jimin; Luo, Gen; Luo, Yi; Hou, Zhaomin
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	20.6422 ± 0.0009 Å
b	20.6422 ± 0.0009 Å
c	19.1449 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	7064.7 ± 0.5 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1639
Weighted residual factors for all reflections included in the refinement	0.1819
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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