Crystallography Open Database

Information card for entry 7717790

Preview

Coordinates	7717790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45.5 H40 Bi Cl3 N2
Calculated formula	C45.5 H40 Bi Cl3 N2
Title of publication	Room-temperature phosphorescence and static excimer excitation of pyrene-modified (<i>NCN</i>) pincer bismuth complexes.
Authors of publication	Geppert, Marcel; Müller, Michelle; Linseis, Michael; Winter, Rainer F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	5
Pages of publication	1779 - 1783
a	14.0114 ± 0.0006 Å
b	20.1875 ± 0.0008 Å
c	15.1534 ± 0.0006 Å
α	90°
β	114.972 ± 0.003°
γ	90°
Cell volume	3885.5 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.1136
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.2091
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298273 (current)	2025-03-04	cif/ Updating files of 7717790, 7717791 Original log message: Adding full bibliography for 7717790--7717791.cif.	7717790.cif
297239	2025-01-09	cif/ Adding structures of 7717790, 7717791 via cif-deposit CGI script.	7717790.cif