Crystallography Open Database

Information card for entry 7120713

7120712 << 7120713 >> 7120714

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Coordinates	7120713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H77 Cl5 N2 O P2 Ru
Calculated formula	C53 H77 Cl5 N2 O P2 Ru
Title of publication	An exploding N-isocyanide reagent formally composed of anthracene, dinitrogen, and a carbon atom
Authors of publication	Joost, Maximilian; Nava, Matthew Jordan; Transue, Wesley J.; Cummins, Christopher
Journal of publication	Chem. Commun.
Year of publication	2017
a	25.9247 ± 0.0008 Å
b	13.1773 ± 0.0004 Å
c	19.0154 ± 0.0006 Å
α	90°
β	124.261 ± 0.001°
γ	90°
Cell volume	5368.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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