Crystallography Open Database

Information card for entry 4031539

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Coordinates	4031539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 F12 N8 P2 Ru
Calculated formula	C24 H22 F12 N8 P2 Ru
Title of publication	Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.
Authors of publication	Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2015
Journal volume	11
Pages of publication	1786 - 1795
a	10.957 ± 0.0008 Å
b	22.2567 ± 0.0016 Å
c	16.8706 ± 0.0011 Å
α	90°
β	97.384 ± 0.006°
γ	90°
Cell volume	4080.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1788
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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