Crystallography Open Database

Information card for entry 4510124

Preview

Coordinates	4510124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N2 O8 P2 U Zn
Calculated formula	C13 H14 N2 O8 P2 U Zn
Title of publication	Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands
Authors of publication	Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	3
Pages of publication	1366
a	8.635 ± 0.002 Å
b	10.233 ± 0.002 Å
c	20.868 ± 0.005 Å
α	90°
β	100.692 ± 0.003°
γ	90°
Cell volume	1811.9 ± 0.7 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	0.0337
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179648 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/01.	4510124.cif
106339	2014-03-15	cif/ Adding structures of 4510122, 4510123, 4510124, 4510125, 4510126 via cif-deposit CGI script.	4510124.cif