Crystallography Open Database

Information card for entry 4500702

Preview

Coordinates	4500702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H40 F2 N2 O39 P8 U6
Calculated formula	C32 H40 F2 N2 O39 P8 U6
Title of publication	Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds
Authors of publication	Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1966
a	11.237 ± 0.0005 Å
b	20.8524 ± 0.0009 Å
c	14.6189 ± 0.0007 Å
α	90°
β	104.997 ± 0.001°
γ	90°
Cell volume	3308.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179538 (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 4/50/07.	4500702.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500702.cif
34591	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500702, 4500703, 4500704 via cif-deposit CGI script.	4500702.cif