Crystallography Open Database

Information card for entry 7220264

7220263 << 7220264 >> 7220265

Preview

Coordinates	7220264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H76 N2 O19 U2
Calculated formula	C46 H76 N2 O19 U2
Title of publication	Solvent effects in solvo-hydrothermal synthesis of uranyl ion complexes with 1,3-adamantanediacetate
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	4006
a	16.5765 ± 0.0004 Å
b	13.5501 ± 0.0004 Å
c	24.0775 ± 0.0008 Å
α	90°
β	95.8 ± 0.002°
γ	90°
Cell volume	5380.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
138539 (current)	2015-06-07	cif/ Updating files of 7220260, 7220261, 7220262, 7220263, 7220264 Original log message: Adding full bibliography for 7220260--7220264.cif.	7220264.cif
135812	2015-05-09	cif/ Adding structures of 7220260, 7220261, 7220262, 7220263, 7220264 via cif-deposit CGI script.	7220264.cif