Crystallography Open Database

Information card for entry 7106682

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Coordinates	7106682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H31 Br N4
Calculated formula	C23 H31 Br N4
Title of publication	Ester hydrogenation catalyzed by Ru-CNN pincer complexes
Authors of publication	Yunshan Sun; Christian Koehler; Runyu Tan; Vincent T. Annibale; Datong Song
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	8349
a	8.9717 ± 0.0002 Å
b	27.7991 ± 0.0008 Å
c	9.8235 ± 0.0002 Å
α	90°
β	108.431 ± 0.001°
γ	90°
Cell volume	2324.36 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0405
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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