Crystallography Open Database

Information card for entry 7714196

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Coordinates	7714196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H32 Au B Br Cl N P
Calculated formula	C14 H32 Au B Br Cl N P
SMILES	[Au](Br)[P](C(C)(C)C)(C(C)(C)C)B(Cl)N(C(C)C)C(C)C
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	11.9513 ± 0.0011 Å
b	9.9691 ± 0.0009 Å
c	17.3494 ± 0.0015 Å
α	90°
β	92.402 ± 0.007°
γ	90°
Cell volume	2065.3 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
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	0.0618
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	7714196.cif