Crystallography Open Database

Information card for entry 4510001

Preview

Coordinates	4510001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H22 N2 O8 P2 U
Calculated formula	C11 H22 N2 O8 P2 U
Title of publication	Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates
Authors of publication	Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	1
Pages of publication	228
a	9.8611 ± 0.0007 Å
b	10.0415 ± 0.0007 Å
c	10.7103 ± 0.0007 Å
α	71.712 ± 0.001°
β	65.666 ± 0.001°
γ	68.082 ± 0.001°
Cell volume	880.27 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0229
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179647 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/00.	4510001.cif
104167	2014-03-10	cif/ Adding structures of 4509999, 4510000, 4510001, 4510002, 4510003 via cif-deposit CGI script.	4510001.cif