Crystallography Open Database

Information card for entry 7036520

Preview

Coordinates	7036520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 N4 O16 P4 U2
Calculated formula	C24 H32 N4 O16 P4 U2
Title of publication	A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.
Authors of publication	Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	18158 - 18166
a	9.7669 ± 0.0005 Å
b	19.1321 ± 0.001 Å
c	19.139 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3576.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7036520.cif
171195	2015-12-09	cif/ Updating files of 7036518, 7036519, 7036520 Original log message: Adding full bibliography for 7036518--7036520.cif.	7036520.cif
156315	2015-09-15	cif/ Adding structures of 7036518, 7036519, 7036520 via cif-deposit CGI script.	7036520.cif