Crystallography Open Database

Information card for entry 4134831

Preview

Coordinates	4134831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H100 Cr4 N2 Si4
Calculated formula	C54 H100 Cr4 N2 Si4
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	24.5565 ± 0.0011 Å
b	11.8827 ± 0.0005 Å
c	21.1647 ± 0.0009 Å
α	90°
β	107.75 ± 0.0015°
γ	90°
Cell volume	5881.8 ± 0.4 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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