Crystallography Open Database

Information card for entry 4500583

Preview

Coordinates	4500583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Dy O9 S
Calculated formula	C7 H8 Dy O9 S
Title of publication	Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate
Authors of publication	Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	6
Pages of publication	2294
a	19.2794 ± 0.0014 Å
b	9.8604 ± 0.0005 Å
c	12.4549 ± 0.001 Å
α	90°
β	106.871 ± 0.004°
γ	90°
Cell volume	2265.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179536 (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 4/50/05.	4500583.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500583.cif
34560	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500583 via cif-deposit CGI script.	4500583.cif