Crystallography Open Database

Information card for entry 4501200

Preview

Coordinates	4501200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 O27 P6 U3
Calculated formula	C22 H12 O27 P6 U3
Title of publication	Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents
Authors of publication	Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	9
Pages of publication	4227
a	10.089 ± 0.003 Å
b	11.712 ± 0.004 Å
c	11.803 ± 0.004 Å
α	111.964 ± 0.004°
β	107.146 ± 0.004°
γ	105.977 ± 0.004°
Cell volume	1112.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	1.297
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179543 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/12.	4501200.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501200.cif
34804	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501199, 4501200, 4501201, 4501202, 4501203 via cif-deposit CGI script.	4501200.cif