Crystallography Open Database

Information card for entry 7711575

Preview

Coordinates	7711575.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMB-boratabenzene Rh(CO)2 complex
Formula	C20 H26 B O2 Rh Si
Calculated formula	C20 H26 B O2 Rh Si
SMILES	[B]12([C]3([Rh]4561([C]2([Si](C)(C)C)=[C]4(C5([C]=36C)C)C)(C#[O])C#[O])C)c1ccccc1
Title of publication	Assessing the Donor Ability of Boratabenzene and 9-Borataphenanthrene Anions through Metal Complexes with Carbonyl Ligands
Authors of publication	Rojales, Katherine; Masilamani, Tamizmani; Bartholome, Tyler A.; Martin, Caleb Daniel
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.3967 ± 0.0005 Å
b	7.7875 ± 0.0002 Å
c	15.776 ± 0.0004 Å
α	90°
β	105.783 ± 0.0009°
γ	90°
Cell volume	2056.7 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0203
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
278838 (current)	2022-10-28	cif/ Adding structures of 7711572, 7711573, 7711574, 7711575, 7711576, 7711577, 7711578 via cif-deposit CGI script.	7711575.cif