Crystallography Open Database

Information card for entry 7024860

Preview

Coordinates	7024860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H66 K N8 O5.5 U
Calculated formula	C55 H66 K N8 O5.5 U
Title of publication	Equatorial ligand substitution by hydroxide in uranyl Pacman complexes of a Schiff-base pyrrole macrocycle.
Authors of publication	Arnold, Polly L.; Patel, Dipti; Pécharman, Anne-Frédérique; Wilson, Claire; Love, Jason B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	14
Pages of publication	3501 - 3508
a	22.7824 ± 0.0011 Å
b	23.0693 ± 0.001 Å
c	10.9145 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5736.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024860.cif
92716	2014-01-12	cif/ Adding structures of 7024858, 7024859, 7024860 via cif-deposit CGI script.	7024860.cif