Crystallography Open Database

Information card for entry 1562856

Preview

Coordinates	1562856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H62 B F25 O P2 Rh
Calculated formula	C83 H62 B F25 O P2 Rh
Title of publication	Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.
Authors of publication	Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.
Journal of publication	Chemical Science
Year of publication	2021
a	13.4274 ± 0.0002 Å
b	13.6083 ± 0.0002 Å
c	21.8679 ± 0.0003 Å
α	106.362 ± 0.001°
β	96.945 ± 0.001°
γ	91.235 ± 0.001°
Cell volume	3799.34 ± 0.1 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1562856.html