Crystallography Open Database

Information card for entry 7036518

Preview

Coordinates	7036518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H12 N O18 P4 U2
Calculated formula	C17 H12 N O18 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	17.6906 ± 0.0012 Å
b	9.2409 ± 0.0006 Å
c	19.8228 ± 0.0013 Å
α	90°
β	114.697 ± 0.006°
γ	90°
Cell volume	2944.2 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 2/c 1 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.389
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.	7036518.cif
171195	2015-12-09	cif/ Updating files of 7036518, 7036519, 7036520 Original log message: Adding full bibliography for 7036518--7036520.cif.	7036518.cif
156315	2015-09-15	cif/ Adding structures of 7036518, 7036519, 7036520 via cif-deposit CGI script.	7036518.cif