Crystallography Open Database

Information card for entry 2022690

2022689 << 2022690 >> 2022691

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Coordinates	2022690.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(4-Bromophenyl)(triphenylphosphanyl)borane
Formula	C24 H21 B Br P
Calculated formula	C24 H21 B Br P
SMILES	Brc1ccc(cc1)[BH2][P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, crystal structure and Hirshfeld analysis of triphenylphosphine–(4-bromophenyl)borane
Authors of publication	Allen, Caleb J.; Olden, Alex M.; Yates, James L.; Wheeler, Kraig A.; Abbey, Eric R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	11
a	9.492 ± 0.0006 Å
b	10.0234 ± 0.0007 Å
c	12.0606 ± 0.0008 Å
α	81.515 ± 0.002°
β	74.038 ± 0.002°
γ	67.798 ± 0.002°
Cell volume	1020.21 ± 0.12 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	0.0257
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278875 (current)	2022-10-29	cif/ hkl/ Adding structures of 2022690 via cif-deposit CGI script.	2022690.cif