Crystallography Open Database

Information card for entry 7125037

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Coordinates	7125037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Cl4 F6 N5 O2 P Ru
Calculated formula	C31 H30 Cl4 F6 N5 O2 P Ru
Title of publication	A binary catalyst system of a cationic Ru-CNC pincer complex with an alkali metal salt for selective hydroboration of carbon dioxide.
Authors of publication	Ng, Chee Koon; Wu, Jie; Hor, T. S. Andy; Luo, He-Kuan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	79
Pages of publication	11842 - 11845
a	16.6675 ± 0.0005 Å
b	11.1422 ± 0.0003 Å
c	38.2172 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	7097.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0973
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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