Crystallography Open Database

Information card for entry 4510125

Preview

Coordinates	4510125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 N8 O28 P6 U3 Zn2
Calculated formula	C60 H58 N8 O28 P6 U3 Zn2
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	12.2596 ± 0.0009 Å
b	12.603 ± 0.001 Å
c	13.043 ± 0.001 Å
α	99.225 ± 0.001°
β	105.58 ± 0.001°
γ	105.042 ± 0.001°
Cell volume	1816.5 ± 0.2 Å³
Cell temperature	139 ± 2 K
Ambient diffraction temperature	139 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.059
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4510125.cif
106339	2014-03-15	cif/ Adding structures of 4510122, 4510123, 4510124, 4510125, 4510126 via cif-deposit CGI script.	4510125.cif