Crystallography Open Database

Information card for entry 2228997

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Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquacobalt(II)]-μ-4,4'-[1,4- phenylenebis(oxy)]dibutanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
Formula	C14 H20 Co O8
Calculated formula	C14 H20 Co O8
SMILES	[Co]12([OH2])([OH2])([O]=C(O1)CCCOc1ccc(OCCCC(=O)[O-])cc1)[O]=C(O2)CCCOc1ccc(cc1)OCCCC(=[O]1)O[Co]1([OH2])[OH2]
Title of publication	<i>catena</i>-Poly[[diaquacobalt(II)]-μ-4,4'-[1,4-phenylenebis(oxy)]dibutanoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
Authors of publication	Zhao, Ying-Ying
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	2
Pages of publication	m138
a	28.835 ± 0.004 Å
b	5.4057 ± 0.0008 Å
c	10.6425 ± 0.0016 Å
α	90°
β	98.126 ± 0.002°
γ	90°
Cell volume	1642.2 ± 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	0.0311
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1
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
181210 (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 2/22/89.	2228997.cif 2228997.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.	2228997.cif 2228997.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2228997.cif 2228997.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.	2228997.cif 2228997.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2228997.cif 2228997.hkl
14261	2011-03-09	Adding the Fobs data for the recenty deposited IUCr structrures.	2228997.cif 2228997.hkl
12015	2011-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2228997 via cif-deposit CGI script.	2228997.cif