Crystallography Open Database

Information card for entry 7038598

Preview

Coordinates	7038598.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1[ErCl3(dpa)(py)2]0.5(dpa)0.5(py)
Chemical name	polycatena-[tri-chlorido-(μ-4-[1,2-bis(4-pyridyl) ethane]pyridine) -1κN1:1κN2-bis(pyridine)- erbium(III)]0.5([1,2-bis(4-pyridyl)ethane) 0.5(pyridine)
Formula	C31 H31 Cl3 Er N5
Calculated formula	C31 H31 Cl3 Er N5
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	9.3175 ± 0.001 Å
b	12.878 ± 0.0014 Å
c	13.971 ± 0.0016 Å
α	103.28 ± 0.002°
β	102.03 ± 0.003°
γ	101.88 ± 0.002°
Cell volume	1538 ± 0.3 Å³
Cell temperature	168 ± 2 K
Ambient diffraction temperature	168 ± 2 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	0.0296
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0554
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
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.	7038598.cif
177030	2016-02-27	cif/ Adding structures of 7038597, 7038598, 7038599, 7038600, 7038601, 7038602, 7038603 via cif-deposit CGI script.	7038598.cif