Crystallography Open Database

Information card for entry 7714197

Preview

Coordinates	7714197.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 B Br N P
Calculated formula	C20 H28 B Br N P
SMILES	BrB(P(C(C)(C)C)C(C)(C)C)N(c1ccccc1)c1ccccc1
Title of publication	Phosphinoborenium cations stabilized by N-heterocyclic carbenes: synthesis, structure, and reactivity
Authors of publication	Kaniewska-Laskowska, Kinga; Ordyszewska, Anna; Wojnowski, Tomasz; Halenka, Hanna; Czapla, Marcin; Chojnacki, Jarosław; Grubba, Rafał
Journal of publication	Dalton Transactions
Year of publication	2023
a	12.3679 ± 0.0009 Å
b	12.3039 ± 0.0008 Å
c	14.0443 ± 0.0011 Å
α	90°
β	105.345 ± 0.006°
γ	90°
Cell volume	2061 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 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	0.0572
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
286943 (current)	2023-10-13	cif/ Adding structures of 7714195, 7714196, 7714197, 7714198 via cif-deposit CGI script.	7714197.cif