Crystallography Open Database

Information card for entry 4511576

Preview

Coordinates	4511576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cu N2 O13 U
Calculated formula	C14 H12 Cu N2 O13 U
Title of publication	CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence
Authors of publication	Kerr, Andrew T.; Cahill, Christopher L.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	8
Pages of publication	4094
a	8.4363 ± 0.0011 Å
b	13.1485 ± 0.0017 Å
c	17.833 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1978.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
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
179662 (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 4/51/15.	4511576.cif
122823	2014-09-06	cif/ Updating files of 4511575, 4511576, 4511577 Original log message: Adding full bibliography for 4511575--4511577.cif.	4511576.cif
119755	2014-07-09	cif/ Adding structures of 4511575, 4511576, 4511577 via cif-deposit CGI script.	4511576.cif