Crystallography Open Database

Information card for entry 7037369

Preview

Coordinates	7037369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N2 O11 Pr S2
Calculated formula	C22 H21 N2 O11 Pr S2
Title of publication	Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence.
Authors of publication	D'Vries, Richard F; Gomez, German E.; Hodak, José H; Soler-Illia, Galo J A A; Ellena, Javier
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	646 - 656
a	9.2708 ± 0.0002 Å
b	11.9699 ± 0.0003 Å
c	12.7725 ± 0.0003 Å
α	106.589 ± 0.001°
β	110.161 ± 0.002°
γ	99.377 ± 0.001°
Cell volume	1220.16 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.0499
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
175998 (current)	2016-02-05	cif/ Updating files of 7037363, 7037364, 7037365, 7037366, 7037367, 7037368, 7037369, 7037370, 7037371 Original log message: Adding full bibliography for 7037363--7037371.cif.	7037369.cif
170439	2015-11-21	cif/ Adding structures of 7037363, 7037364, 7037365, 7037366, 7037367, 7037368, 7037369, 7037370, 7037371 via cif-deposit CGI script.	7037369.cif