Crystallography Open Database

Information card for entry 2018800

2018799 << 2018800 >> 2018801

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Coordinates	2018800.cif
Structure factors	2018800.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[bis(ethane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>S</i>- [bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ- thiocyanato-κ^2^<i>S</i>:<i>S</i>] tetrakis(perchlorate)]
Formula	C10 H32 Cl4 N10 O16 Pt2 S2
Calculated formula	C10 H32 Cl4 N10 O16 Pt2 S2
SMILES	C(#N)S[Pt]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)SC#N.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Pt]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)
Authors of publication	Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	2
Pages of publication	146 - 149
a	9.0535 ± 0.0013 Å
b	9.6033 ± 0.0014 Å
c	9.6034 ± 0.0014 Å
α	104.944 ± 0.004°
β	91.574 ± 0.004°
γ	113.765 ± 0.004°
Cell volume	730.11 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
180857 (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 2/01/88.	2018800.cif 2018800.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.	2018800.cif 2018800.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.	2018800.cif 2018800.hkl
75609	2013-03-10	hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files.	2018800.cif 2018800.hkl
75449	2013-03-09	cif/ Adding structures of 2018800, 2018801 via cif-deposit CGI script.	2018800.cif