Crystallography Open Database

Information card for entry 7046102

Preview

Coordinates	7046102.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cl8 N8 Sm2
Calculated formula	C40 H37 Cl8 N8 Sm2
Title of publication	Bismuth as a versatile cation for luminescence in coordination polymers from BiX<sub>3</sub>/4,4'-bipy: understanding of photophysics by quantum chemical calculations and structural parallels to lanthanides.
Authors of publication	Sorg, Jens R.; Wehner, Tobias; Matthes, Philipp R.; Sure, Rebecca; Grimme, Stefan; Heine, Johanna; Müller-Buschbaum, Klaus
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	23
Pages of publication	7669 - 7681
a	13.205 ± 0.004 Å
b	12.34 ± 0.004 Å
c	8.1926 ± 0.0016 Å
α	90°
β	121.97 ± 0.03°
γ	90°
Cell volume	1132.5 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0157
Residual factor for significantly intense reflections	0.0157
Weighted residual factors for significantly intense reflections	0.0406
Weighted residual factors for all reflections included in the refinement	0.0406
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
229885 (current)	2019-11-17	cif/ Updating files of 7046099, 7046100, 7046101, 7046102, 7046103, 7046104, 7046105, 7046106, 7046107, 7046108, 7046109 Original log message: Adding full bibliography for 7046099--7046109.cif.	7046102.cif
207472	2018-04-25	cif/ Adding structures of 7046099, 7046100, 7046101, 7046102, 7046103, 7046104, 7046105, 7046106, 7046107, 7046108, 7046109 via cif-deposit CGI script.	7046102.cif