Crystallography Open Database

Information card for entry 4335586

Preview

Coordinates	4335586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N2 O8 P2 U Zn
Calculated formula	C12 H12 N2 O8 P2 U 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	10.3814 ± 0.0009 Å
b	21.4752 ± 0.0018 Å
c	8.0597 ± 0.0007 Å
α	90°
β	100.074 ± 0.002°
γ	90°
Cell volume	1769.1 ± 0.3 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	0.0504
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
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.	4335586.cif
101520	2014-02-14	cif/ Adding structures of 4335586 via cif-deposit CGI script.	4335586.cif