Crystallography Open Database

Information card for entry 2105758

Preview

Coordinates	2105758.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H10 O8 P2 U
Calculated formula	C8 H10 O8 P2 U
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	10.9522 ± 0.0013 Å
b	6.4691 ± 0.0007 Å
c	9.2802 ± 0.001 Å
α	90°
β	96.333 ± 0.009°
γ	90°
Cell volume	653.5 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	2105758.cif
104720	2014-03-11	cif/ hkl/ Adding structures of 2105757, 2105758, 2105759 via cif-deposit CGI script.	2105758.cif