Crystallography Open Database

Information card for entry 1564837

Preview

Coordinates	1564837.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(PBP)RhPyH
Formula	C29 H41 B N P2 Rh
Calculated formula	C29 H41 B N P2 Rh
SMILES	[RhH]123[P](c4c(cccc4)B3(c3[n]2cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)(C(C)C)C(C)C
Title of publication	Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit
Authors of publication	Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
Journal of publication	Chemical Science
Year of publication	2021
a	10.692 ± 0.003 Å
b	16.314 ± 0.004 Å
c	16.162 ± 0.004 Å
α	90°
β	106.363 ± 0.003°
γ	90°
Cell volume	2704.9 ± 1.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
269796 (current)	2021-10-07	cif/ Adding structures of 1564837, 1564838, 1564839, 1564840, 1564841 via cif-deposit CGI script.	1564837.cif