Crystallography Open Database

Information card for entry 7705070

Preview

Coordinates	7705070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Bi Cl3 N4
Calculated formula	C24 H16 Bi Cl3 N4
SMILES	[Bi]12(Cl)(Cl)(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3
Title of publication	Synthesis and photoluminescence of three bismuth(III)-organic compounds bearing heterocyclic N-donor ligands.
Authors of publication	Adcock, Alyssa K.; Ayscue, 3rd, R Lee; Breuer, Leticia M.; Verwiel, Chloe P.; Marwitz, Alexander C.; Bertke, Jeffery A.; Vallet, Valérie; Réal, Florent; Knope, Karah E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	33
Pages of publication	11756 - 11771
a	9.6115 ± 0.0003 Å
b	31.7985 ± 0.001 Å
c	7.5977 ± 0.0002 Å
α	90°
β	109.328 ± 0.001°
γ	90°
Cell volume	2191.22 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0173
Residual factor for significantly intense reflections	0.0152
Weighted residual factors for significantly intense reflections	0.0313
Weighted residual factors for all reflections included in the refinement	0.0317
Goodness-of-fit parameter for all reflections included in the refinement	1.168
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
256075 (current)	2020-09-06	cif/ Updating files of 7705069, 7705070, 7705071 Original log message: Adding full bibliography for 7705069--7705071.cif.	7705070.cif
255199	2020-08-08	cif/ Adding structures of 7705069, 7705070, 7705071 via cif-deposit CGI script.	7705070.cif