Crystallography Open Database

Information card for entry 7701213

Preview

Coordinates	7701213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H63 B2 F24 N2 O2 P2 Rh
Calculated formula	C56 H63 B2 F24 N2 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	12.667 ± 0.0001 Å
b	18.7076 ± 0.0002 Å
c	26.9666 ± 0.0003 Å
α	90°
β	94.9435 ± 0.0005°
γ	90°
Cell volume	6366.48 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	8
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	0.0711
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for all reflections	0.1348
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	0.9179
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7701213.cif
218652	2019-09-21	cif/ Adding structures of 7701212, 7701213 via cif-deposit CGI script.	7701213.cif