Crystallography Open Database

Information card for entry 7038599

Preview

Coordinates	7038599.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl3 La N4 S3
Calculated formula	C14.978 H14.978 Cl3 La N4 S3.022
Title of publication	Luminescent coordination polymers for the VIS and NIR range constituting LnCl3 and 1,2-bis(4-pyridyl)ethane.
Authors of publication	Dannenbauer, N.; Matthes, P. R.; Müller-Buschbaum, K
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	15
Pages of publication	6529 - 6540
a	9.1981 ± 0.0018 Å
b	9.7269 ± 0.0019 Å
c	12.425 ± 0.003 Å
α	77.92 ± 0.03°
β	79.77 ± 0.03°
γ	79.08 ± 0.03°
Cell volume	1056.3 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0573
Goodness-of-fit parameter for all reflections included in the refinement	1.0278
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
182684 (current)	2016-05-06	cif/ Updating files of 7038597, 7038598, 7038599, 7038600, 7038601, 7038602, 7038603 Original log message: Adding full bibliography for 7038597--7038603.cif.	7038599.cif
177030	2016-02-27	cif/ Adding structures of 7038597, 7038598, 7038599, 7038600, 7038601, 7038602, 7038603 via cif-deposit CGI script.	7038599.cif