Crystallography Open Database

Information card for entry 2233664

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Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3- dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
Formula	C8 H12 Co O7
Calculated formula	C8 H12 Co O7
SMILES	[Co]12([OH2])(OC(=O)[C@@H]3[C@@H]4[O]2[C@H]([C@@H]3C(=O)O1)CC4)([OH2])[O]=C1O[Co]2([OH2])([OH2])OC(=O)[C@H]3[C@@H]1[C@H]1[O]2[C@@H]3CC1
Title of publication	<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
Authors of publication	Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	2
Pages of publication	m146
a	10.3794 ± 0.001 Å
b	18.983 ± 0.003 Å
c	10.5021 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2069.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
181258 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/36.	2233664.cif 2233664.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2233664.cif 2233664.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2233664.cif 2233664.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.	2233664.cif 2233664.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2233664.cif 2233664.hkl
38477	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2233664 via cif-deposit CGI script.	2233664.cif