Crystallography Open Database

Information card for entry 7046099

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Coordinates	7046099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Bi Cl3 N2
Calculated formula	C10 H8 Bi Cl3 N2
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	8.1976 ± 0.0016 Å
b	8.6395 ± 0.0017 Å
c	9.7726 ± 0.0019 Å
α	66.75 ± 0.03°
β	88.28 ± 0.03°
γ	87.94 ± 0.03°
Cell volume	635.4 ± 0.3 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	0.0392
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
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.	7046099.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.	7046099.cif