Crystallography Open Database

Information card for entry 7705071

Preview

Coordinates	7705071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Bi2 Cl6 N6
Calculated formula	C30 H22 Bi2 Cl6 N6
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	12.7368 ± 0.0006 Å
b	9.4838 ± 0.0004 Å
c	13.6313 ± 0.0006 Å
α	90°
β	102.088 ± 0.001°
γ	90°
Cell volume	1610.06 ± 0.12 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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.	7705071.cif
255199	2020-08-08	cif/ Adding structures of 7705069, 7705070, 7705071 via cif-deposit CGI script.	7705071.cif