Crystallography Open Database

Information card for entry 7135421

Preview

Coordinates	7135421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 Cl2 F12 N4 P2 Ru2
Calculated formula	C34 H40 Cl2 F12 N4 P2 Ru2
Title of publication	Hydride-Mediated Ammonia Borane Dehydrogenation in Water by Arene-Ru(II) Catalysts Revealed through Real-Time Gas Evolution
Authors of publication	Natarajan, Thillai M.; Padhi, Sumanta Kumar
Journal of publication	Chemical Communications
Year of publication	2026
a	9.4601 ± 0.0016 Å
b	15.895 ± 0.002 Å
c	26.358 ± 0.006 Å
α	90°
β	94.147 ± 0.017°
γ	90°
Cell volume	3953 ± 1.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
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	0.1113
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	0.9069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7135421.html