Crystallography Open Database

Information card for entry 4500276

Preview

Coordinates	4500276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N2 O16 Pr2 S
Calculated formula	C14 H14 N2 O16 Pr2 S
Title of publication	A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate
Authors of publication	Xu, Jing; Su, Weiping; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	337
a	10.6611 ± 0.0009 Å
b	16.4266 ± 0.0011 Å
c	12.4018 ± 0.0008 Å
α	90°
β	99.793 ± 0.007°
γ	90°
Cell volume	2140.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1777
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179533 (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 4/50/02.	4500276.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500276.cif
34429	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500276 via cif-deposit CGI script.	4500276.cif