Crystallography Open Database

Information card for entry 2017744

2017743 << 2017744 >> 2017745

Preview

Coordinates	2017744.cif
Structure factors	2017744.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]
Formula	C12 H18 O8 U
Calculated formula	C12 H18 O8 U
SMILES	[U]12([OH2])(=O)(=O)[O]=C(O1)C13CC4(CC(C1)CC(C3)C4)C(O[U]13([OH2])(=O)(=O)[O]=C(O1)C14CC5(CC(C1)CC(C4)C5)C(O2)=O)=[O][U]12([OH2])(=O)(=O)[O]=C(O1)C14CC5(CC(C1)CC(C4)C5)C(=O)O[U]1([OH2])(=O)(=O)[O]=C(O1)C45CC6(CC(C4)CC(C5)C6)C(O2)=[O]3.O.O.O.O
Title of publication	A new adamantanecarboxylate coordination polymer: poly[[(μ~3~-adamantane-1,3-dicarboxylato)aquadioxidouranium(VI)] monohydrate]
Authors of publication	Rusanova, Julia A.; Rusanov, Eduard B.; Domasevitch, Konstantin V.
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	8
Pages of publication	m207 - m210
a	24.254 ± 0.002 Å
b	6.7855 ± 0.0006 Å
c	20.2586 ± 0.0016 Å
α	90°
β	116.549 ± 0.004°
γ	90°
Cell volume	2982.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180846 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/77.	2017744.cif 2017744.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017744.cif 2017744.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017744.cif 2017744.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2017744.cif 2017744.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017744.cif 2017744.hkl
1704	2010-11-03	hkl/2/ Adding Fobs files for the recently deposited IUCr data.	2017744.cif 2017744.hkl
1551	2010-10-08	cif/2/ Adding data CIFs from Acta-Cryst-C-2010_08/.	2017744.cif