Crystallography Open Database

Information card for entry 4506829

Preview

Coordinates	4506829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N2 O23 P4 U2 Zn
Calculated formula	C13 H18 N2 O23 P4 U2 Zn
Title of publication	Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures
Authors of publication	Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4669
a	9.697 ± 0.0008 Å
b	17.5578 ± 0.0014 Å
c	17.9345 ± 0.0015 Å
α	90°
β	90.327 ± 0.001°
γ	90°
Cell volume	3053.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
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	0.0544
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179604 (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 4/50/68.	4506829.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506829.cif
71832	2013-01-21	cif/ Adding structures of 4506826, 4506827, 4506828, 4506829 via cif-deposit CGI script.	4506829.cif