Crystallography Open Database

Information card for entry 7220261

7220260 << 7220261 >> 7220262

Preview

Coordinates	7220261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N O7 U
Calculated formula	C19 H27 N O7 U
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	11.9941 ± 0.0006 Å
b	12.8275 ± 0.0007 Å
c	13.8161 ± 0.0007 Å
α	90°
β	106.114 ± 0.003°
γ	90°
Cell volume	2042.15 ± 0.19 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7220261.cif
135812	2015-05-09	cif/ Adding structures of 7220260, 7220261, 7220262, 7220263, 7220264 via cif-deposit CGI script.	7220261.cif