Crystallography Open Database

Information card for entry 7129310

Preview

Coordinates	7129310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H29 Al2 B F55 N O6 Si2
Calculated formula	C39 H29 Al2 B F55 N O6 Si2
SMILES	[Si]1(N([Si](C)(C)C)B(C)C12C(=C[C+](C=C2C)C)C)(C)C.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[F][Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Title of publication	[Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes
Authors of publication	Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen
Journal of publication	Chemical Communications
Year of publication	2021
a	14.8299 ± 0.0005 Å
b	17.7594 ± 0.0006 Å
c	23.7368 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6251.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0961
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.2002
Weighted residual factors for all reflections included in the refinement	0.2183
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
270876 (current)	2021-11-26	cif/ Adding structures of 7129308, 7129309, 7129310 via cif-deposit CGI script.	7129310.cif