Crystallography Open Database

Information card for entry 7134204

Preview

Coordinates	7134204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.25 H27.5 Bi Br2 Cl0.5 N2
Calculated formula	C26 H27 Bi Br2 N2
Title of publication	Room-temperature near-infrared phosphorescence of a bismuthinidene N,C,N pincer complex.
Authors of publication	Deuter, Katharina L.; Balaba, Daisy J. J.; Linseis, Michael; Winter, Rainer F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	17
Pages of publication	3548 - 3551
a	13.2163 ± 0.0006 Å
b	8.2052 ± 0.0002 Å
c	28.5094 ± 0.0012 Å
α	90°
β	96.531 ± 0.004°
γ	90°
Cell volume	3071.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation probe	x-ray
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
298015 (current)	2025-03-04	cif/ Updating files of 7134204, 7134205 Original log message: Adding full bibliography for 7134204--7134205.cif.	7134204.cif
297548	2025-02-01	cif/ Adding structures of 7134204, 7134205 via cif-deposit CGI script.	7134204.cif