Crystallography Open Database

Information card for entry 4503618

Preview

Coordinates	4503618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 N O7 Tb
Calculated formula	C12 H9 N O7 Tb
Title of publication	Photoluminescent 3D Lanthanide−Organic Frameworks with 2,5-Pyridinedicarboxylic and 1,4-Phenylenediacetic Acids
Authors of publication	Soares-Santos, Paula C. R.; Cunha-Silva, Luís; Paz, Filipe A. Almeida; Ferreira, Rute A. Sá; Rocha, João; Trindade, Tito; Carlos, Luís D.; Nogueira, Helena I. S.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	7
Pages of publication	2505
a	9.1376 ± 0.0005 Å
b	15.4194 ± 0.0009 Å
c	8.5106 ± 0.0005 Å
α	90°
β	102.66 ± 0.003°
γ	90°
Cell volume	1169.96 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0183
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for significantly intense reflections	0.0352
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179571 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36.	4503618.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503618.cif
41664	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503618 via cif-deposit CGI script.	4503618.cif