Crystallography Open Database

Information card for entry 7030987

Preview

Coordinates	7030987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H44 F15 K N6 O6 U
Calculated formula	C49 H44 F15 K N6 O6 U
Title of publication	Uranyl-oxo coordination directed by non-covalent interactions.
Authors of publication	Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	28
Pages of publication	10844 - 10851
a	16.6414 ± 0.0017 Å
b	19.756 ± 0.002 Å
c	34.283 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	11271.1 ± 1.9 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.1973
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
180015 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/09.	7030987.cif
119490	2014-07-07	cif/ Updating files of 7030985, 7030986, 7030987, 7030988, 7030989 Original log message: Adding full bibliography for 7030985--7030989.cif.	7030987.cif
113974	2014-05-19	cif/ Adding structures of 7030985, 7030986, 7030987, 7030988, 7030989 via cif-deposit CGI script.	7030987.cif