Crystallography Open Database

Information card for entry 4335588

Preview

Coordinates	4335588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N2 O20 P4 U3 Zn
Calculated formula	C21.18 H16 N2 O20 P4 U3 Zn
Title of publication	Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI=O-ZnII Cation-Cation Interactions
Authors of publication	Tao Tian; Weiting Yang; Hao Wang; Song Dang; Zhong-Ming Sun
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8288 - 8290
a	9.605 ± 0.003 Å
b	21.278 ± 0.007 Å
c	16.747 ± 0.005 Å
α	90°
β	91.464 ± 0.004°
γ	90°
Cell volume	3421.6 ± 1.9 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335588.cif
101522	2014-02-14	cif/ Adding structures of 4335588 via cif-deposit CGI script.	4335588.cif