Crystallography Open Database

Information card for entry 7701212

Preview

Coordinates	7701212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H40 N O2 P2 Rh
Calculated formula	C21 H40 N O2 P2 Rh
Title of publication	The role of neutral Rh(PONOP)H, free NMe<sub>2</sub>H, boronium and ammonium salts in the dehydrocoupling of dimethylamine-borane using the cationic pincer [Rh(PONOP)(η<sup>2</sup>-H<sub>2</sub>)]<sup>+</sup> catalyst.
Authors of publication	Spearing-Ewyn, E Anastasia K; Beattie, Nicholas A.; Colebatch, Annie L.; Martinez-Martinez, Antonio J; Docker, Andrew; Boyd, Timothy M.; Baillie, Gregg; Reed, Rachel; Macgregor, Stuart A.; Weller, Andrew S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	39
Pages of publication	14724 - 14736
a	9.2325 ± 0.0002 Å
b	26.6707 ± 0.0004 Å
c	33.1426 ± 0.0006 Å
α	68.569 ± 0.002°
β	89.805 ± 0.002°
γ	88.221 ± 0.001°
Cell volume	7592.7 ± 0.3 Å³
Cell temperature	150.01 ± 0.15 K
Ambient diffraction temperature	150.01 ± 0.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1761
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224044 (current)	2019-11-07	cif/ Updating files of 7701212, 7701213 Original log message: Adding full bibliography for 7701212--7701213.cif.	7701212.cif
218652	2019-09-21	cif/ Adding structures of 7701212, 7701213 via cif-deposit CGI script.	7701212.cif