Crystallography Open Database

Information card for entry 7224871

Preview

Coordinates	7224871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 O7 Pr
Calculated formula	C9 H11 O7 Pr
Title of publication	A new series of trivalent lanthanide (Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy) coordination polymers with a 1,2-cyclohexanedicarboxylate ligand: synthesis, crystal structure, luminescence and catalytic properties
Authors of publication	Russell, Samantha E.; Gosset, Cyrille; Agache, Xavier; Volkringer, Christophe; Henry, Natacha; Decadt, Roel; Van Deun, Rik; Visseaux, Marc; Loiseau, Thierry
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	20
Pages of publication	3594
a	11.5115 ± 0.0003 Å
b	7.9773 ± 0.0002 Å
c	13.0081 ± 0.0003 Å
α	90°
β	100.209 ± 0.001°
γ	90°
Cell volume	1175.63 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0529
Goodness-of-fit parameter for significantly intense reflections	2.37
Goodness-of-fit parameter for all reflections included in the refinement	2.02
Diffraction radiation probe	x-ray
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
185235 (current)	2016-08-07	cif/ Updating files of 7224870, 7224871, 7224872, 7224873, 7224874, 7224875, 7224876 Original log message: Adding full bibliography for 7224870--7224876.cif.	7224871.cif
181972	2016-04-08	cif/ Adding structures of 7224870, 7224871, 7224872, 7224873, 7224874, 7224875, 7224876 via cif-deposit CGI script.	7224871.cif