Crystallography Open Database

Information card for entry 2230164

Preview

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato- κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Formula	C28 H30 Mn N2 O6 S2
Calculated formula	C28 H30 Mn N2 O6 S2
SMILES	[Mn](OC(=O)CSc1ccc(C)cc1)([OH2])(OC(=O)CSc1ccc(cc1)C)([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Mn](OC(=O)CSc1ccc(cc1)C)(OC(=O)CSc1ccc(cc1)C)([OH2])([OH2])[n]1ccc(c2ccncc2)cc1
Title of publication	<i>catena</i>-Poly[[diaquabis[2-(4-tolylsulfanyl)acetato-κ<i>O</i>]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Authors of publication	Zheng, Xiao-Yong
Journal of publication	Acta Crystallographica Section E
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m524
a	21.75 ± 0.004 Å
b	11.618 ± 0.002 Å
c	11.028 ± 0.002 Å
α	90°
β	93.24 ± 0.03°
γ	90°
Cell volume	2782.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0378
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
181223 (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 2/23/01.	2230164.cif 2230164.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.	2230164.cif 2230164.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2230164.cif 2230164.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.	2230164.cif 2230164.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2230164.cif 2230164.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2230164.cif 2230164.hkl
20242	2011-06-03	../uploads/cif-deposit/cod/cif Adding structures of 2230164 via cif-deposit CGI script.	2230164.cif