Crystallography Open Database

Information card for entry 2017938

2017937 << 2017938 >> 2017939

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Structure parameters

Chemical name	Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate
Formula	C28 H42 Co O28 P4
Calculated formula	C28 H42 Co O28 P4
SMILES	c1(ccc(cc1)C(=O)O)P(=O)([O-])O.c1(ccc(cc1)C(=O)O)P(=O)(O)O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(ccc(cc1)C(=O)O)P(=O)([O-])O.c1(ccc(cc1)C(=O)O)P(=O)(O)O.O
Title of publication	Hexaaquacobalt(II) bis[hydrogen bis(4-carboxyphenylphosphonate)] dihydrate
Authors of publication	Wilk, Magdalena; Janczak, Jan; Videnova-Adrabinska, Veneta
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	1
Pages of publication	m9 - m12
a	21.053 ± 0.004 Å
b	7.203 ± 0.0014 Å
c	13.37 ± 0.003 Å
α	90°
β	92 ± 0.01°
γ	90°
Cell volume	2026.3 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0819
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
180848 (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 2/01/79.	2017938.cif 2017938.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.	2017938.cif 2017938.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017938.cif 2017938.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.	2017938.cif 2017938.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017938.cif 2017938.hkl
11387	2011-02-15	hkl/: Adding Reflection data for the recently deposited IUCr-originating structures.	2017938.cif 2017938.hkl
9284	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 2017938 via cif-deposit CGI script.	2017938.cif