Crystallography Open Database

Information card for entry 4511577

Preview

Coordinates	4511577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Cu N2 O13 U
Calculated formula	C14 H11 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	9.344 ± 0.004 Å
b	10.249 ± 0.004 Å
c	11.295 ± 0.005 Å
α	90.275 ± 0.006°
β	113.058 ± 0.006°
γ	110.556 ± 0.006°
Cell volume	919.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0308
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
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.	4511577.cif
122823	2014-09-06	cif/ Updating files of 4511575, 4511576, 4511577 Original log message: Adding full bibliography for 4511575--4511577.cif.	4511577.cif
119755	2014-07-09	cif/ Adding structures of 4511575, 4511576, 4511577 via cif-deposit CGI script.	4511577.cif