Crystallography Open Database

Information card for entry 2236504

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Structure parameters

Chemical name	<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>, <i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate
Formula	C16 H26 Cl4 N2 O8 Pt
Calculated formula	C16 H26 Cl4 N2 O8 Pt
SMILES	c1cc(=O)c(c(C[NH+](CC[NH+](Cc2c(c(=O)cco2)O)C)C)o1)O.Cl[Pt](Cl)([Cl-])[Cl-].O.O
Title of publication	<i>N</i>,<i>N</i>'-bis[(3-hydroxy-4(4<i>H</i>)-oxypyran-2-yl)methyl]-<i>N</i>,<i>N</i>'-dimethylethylene-1,2-diammonium tetrachloridoplatinate(II) dihydrate
Authors of publication	Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Paoli, Paola; Rossi, Patrizia
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	11
Pages of publication	m1323 - m1324
a	6.4775 ± 0.0004 Å
b	7.0037 ± 0.0004 Å
c	13.1628 ± 0.0008 Å
α	88.81 ± 0.005°
β	87.033 ± 0.005°
γ	71.927 ± 0.006°
Cell volume	566.92 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.049
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
181287 (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 2/23/65.	2236504.cif 2236504.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.	2236504.cif 2236504.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236504.cif 2236504.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.	2236504.cif 2236504.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236504.cif 2236504.hkl
70080	2012-12-21	cif/ Adding structures of 2236504 via cif-deposit CGI script.	2236504.cif