Crystallography Open Database

Information card for entry 4135379

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Coordinates	4135379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H102 N2 O6 P4 Ru2
Calculated formula	C75 H102 N2 O6 P4 Ru2
Title of publication	Catalytic Oxidative Deamination by Water with H<sub>2</sub> Liberation.
Authors of publication	Tang, Shan; Rauch, Michael; Montag, Michael; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	25.7295 ± 0.0003 Å
b	11.2014 ± 0.0001 Å
c	25.9806 ± 0.0003 Å
α	90°
β	109.322 ± 0.001°
γ	90°
Cell volume	7066.02 ± 0.14 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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