Crystallography Open Database

Information card for entry 4506828

Preview

Coordinates	4506828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 N2 O24 P4 U2 Zn0.5
Calculated formula	C11 H17 N2 O24 P4 U2 Zn0.5
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	9.7111 ± 0.0005 Å
b	16.7387 ± 0.0008 Å
c	18.0226 ± 0.0008 Å
α	90°
β	90.29 ± 0.001°
γ	90°
Cell volume	2929.6 ± 0.2 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	0.0512
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506828.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506828.cif
71832	2013-01-21	cif/ Adding structures of 4506826, 4506827, 4506828, 4506829 via cif-deposit CGI script.	4506828.cif