Crystallography Open Database

Information card for entry 2105757

Preview

Coordinates	2105757.cif
Original IUCr paper	HTML

Structure parameters

Formula	C3 H19 F N O18 P3 U2
Calculated formula	C3 H9 F N O18 P3 U2
Title of publication	Metal-organic frameworks based on uranyl and phosphonate ligands
Authors of publication	Monteiro, Bernardo; Fernandes, José A.; Pereira, Cláudia C. L.; Vilela, Sérgio M. F.; Tomé, João P. C.; Marçalo, Joaquim; Almeida Paz, Filipe A.
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	28 - 36
a	25.8297 ± 0.001 Å
b	8.756 ± 0.0003 Å
c	17.7432 ± 0.0007 Å
α	90°
β	99.951 ± 0.002°
γ	90°
Cell volume	3952.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105757.cif
104720	2014-03-11	cif/ hkl/ Adding structures of 2105757, 2105758, 2105759 via cif-deposit CGI script.	2105757.cif