Crystallography Open Database

Information card for entry 4507103

Preview

Coordinates	4507103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Ba O27 P4 U3
Calculated formula	C12 H8 Ba O27 P4 U3
Title of publication	Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates
Authors of publication	Adelani, Pius O.; Albrecht-Schmitt, Thomas E.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	11
Pages of publication	5800
a	9.5213 ± 0.0009 Å
b	10.5817 ± 0.001 Å
c	18.3319 ± 0.0018 Å
α	95.927 ± 0.001°
β	99.681 ± 0.001°
γ	114.194 ± 0.001°
Cell volume	1630 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.029
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179607 (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 4/50/71.	4507103.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507103.cif
71964	2013-01-21	cif/ Adding structures of 4507101, 4507102, 4507103, 4507104 via cif-deposit CGI script.	4507103.cif