Crystallography Open Database

Information card for entry 2023476

2023475 << 2023476 >> 2023477

Preview

Coordinates	2023476.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(diisopropylamino)fluoroborane
Formula	C12 H28 B F N2
Calculated formula	C12 H28 B F N2
SMILES	FB(N(C(C)C)C(C)C)N(C(C)C)C(C)C
Title of publication	Crystal structure of bis-(diiso-propyl-amino)-fluoro-borane.
Authors of publication	Lenz, Tabea; Hebenbrock, Marian
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	401 - 404
a	6.3603 ± 0.0002 Å
b	7.644 ± 0.0003 Å
c	16.4098 ± 0.0006 Å
α	84.334 ± 0.001°
β	84.82 ± 0.001°
γ	67.518 ± 0.001°
Cell volume	732.38 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
299930 (current)	2025-06-03	cif/ Updating files of 2023476 Original log message: Adding full bibliography for 2023476.cif.	2023476.cif
299329	2025-04-18	cif/ Adding structures of 2023476 via cif-deposit CGI script.	2023476.cif