Crystallography Open Database

Information card for entry 2229714

Preview

Coordinates	2229714.cif
Structure factors	2229714.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]
Formula	C28 H36 Co N4 O10
Calculated formula	C28 H36 Co N4 O10
SMILES	[Co]1([OH2])([OH2])OC(=O)c2ccc(cc2)C2=N(=O)C(C)(C)C(C)(C)[N]2=[O][Co](OC(=O)c2ccc(cc2)C2=N(=O)C(C([N]2=[O]1)(C)C)(C)C)([OH2])([OH2])(OC(=O)c1ccc(cc1)C1=N(=O)C(C)(C)C(C)(C)[N]1=O)[O]=N1C(=N(=O)C(C1(C)C)(C)C)c1ccc(cc1)C(=O)[O-]
Title of publication	<i>catena</i>-Poly[[diaquacobalt(II)]bis[μ-2-(4-carboxylatophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazol-1-oxyl 3-oxide]]
Authors of publication	Rong, Rong; Gao, Ge; Zhu, Lili
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	4
Pages of publication	m488
a	13.548 ± 0.003 Å
b	9.2054 ± 0.0018 Å
c	12.549 ± 0.003 Å
α	90°
β	115.17 ± 0.03°
γ	90°
Cell volume	1416.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1197
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
181218 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/97.	2229714.cif 2229714.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2229714.cif 2229714.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2229714.cif 2229714.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.	2229714.cif 2229714.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2229714.cif 2229714.hkl
19531	2011-05-17	hkl/2/ Adding Fobs data for the latest IUCr deposition.	2229714.cif 2229714.hkl
19181	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 2229714 via cif-deposit CGI script.	2229714.cif