Crystallography Open Database

Information card for entry 7707950

Preview

Coordinates	7707950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 O8 P U
Calculated formula	C31 H32.9997 O8 P U
Title of publication	A chiral uranyl-Kemp's tricarboxylate cubic framework: structure-directing effect of counterions with three-fold rotational symmetry.
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11021 - 11024
a	14.2093 ± 0.0008 Å
b	14.2093 ± 0.0008 Å
c	14.2093 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2868.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0099
Residual factor for significantly intense reflections	0.0099
Weighted residual factors for significantly intense reflections	0.0253
Weighted residual factors for all reflections included in the refinement	0.0253
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
268736 (current)	2021-09-06	cif/ Updating files of 7707950 Original log message: Adding full bibliography for 7707950.cif.	7707950.cif
267953	2021-08-05	cif/ Adding structures of 7707950 via cif-deposit CGI script.	7707950.cif