Crystallography Open Database

Information card for entry 7703099

Preview

Coordinates	7703099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H68 N6 Ni O22 U2
Calculated formula	C70 H68 N6 Ni O22 U2
Title of publication	Zero-, mono- and diperiodic uranyl ion complexes with the diphenate dianion: influences of transition metal ion coordination and differential U<sup>VI</sup> chelation.
Authors of publication	Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	817 - 828
a	11.7413 ± 0.0006 Å
b	12.9324 ± 0.0007 Å
c	13.9484 ± 0.0005 Å
α	116.738 ± 0.003°
β	99.863 ± 0.003°
γ	104.484 ± 0.003°
Cell volume	1729.92 ± 0.17 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	0.0359
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0538
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
247750 (current)	2020-02-04	cif/ Updating files of 7703096, 7703097, 7703098, 7703099, 7703100, 7703101, 7703102, 7703103, 7703104 Original log message: Adding full bibliography for 7703096--7703104.cif.	7703099.cif
246380	2020-01-01	cif/ Adding structures of 7703096, 7703097, 7703098, 7703099, 7703100, 7703101, 7703102, 7703103, 7703104 via cif-deposit CGI script.	7703099.cif