Crystallography Open Database

Information card for entry 7703799

Preview

Coordinates	7703799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Bi Br3 N2
Calculated formula	C12 H12 Bi Br3 N2
Title of publication	Sb- and Bi-based coordination polymers with N-donor ligands with and without lone-pair effects and their photoluminescence properties.
Authors of publication	Sorg, Jens R.; Schneider, Tilman; Wohlfarth, Luise; Schäfer, Thomas C; Sedykh, Alexander; Müller-Buschbaum, Klaus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4904 - 4913
a	8.9483 ± 0.0004 Å
b	9.4511 ± 0.0004 Å
c	10.5223 ± 0.0006 Å
α	69.645 ± 0.003°
β	70.592 ± 0.003°
γ	78.476 ± 0.002°
Cell volume	783.33 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0478
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
251651 (current)	2020-05-05	cif/ Updating files of 7703794, 7703795, 7703796, 7703797, 7703798, 7703799, 7703800, 7703801, 7703802, 7703803, 7703804, 7703805, 7703806, 7703807, 7703808, 7703809 Original log message: Adding full bibliography for 7703794--7703809.cif.	7703799.cif
249519	2020-03-19	cif/ Adding structures of 7703794, 7703795, 7703796, 7703797, 7703798, 7703799, 7703800, 7703801, 7703802, 7703803, 7703804, 7703805, 7703806, 7703807, 7703808, 7703809 via cif-deposit CGI script.	7703799.cif