Crystallography Open Database

Information card for entry 7010137

Preview

Coordinates	7010137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H19 I N2 O2 Pt S
Calculated formula	C12 H19 I N2 O2 Pt S
SMILES	[Pt]12(I)([S](=O)=O)[N](Cc3cccc(c23)C[N]1(C)C)(C)C
Title of publication	Self-assembled organoplatinum(II) supermolecules as crystalline, SO2 gas-triggered switches †
Authors of publication	Albrecht, Martin; Lutz, Martin; Schreurs, Antoine M. M.; Lutz, Egbert T. H.; Spek, Anthony L.; van Koten, Gerard
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	21
Pages of publication	3797
a	8.0291 ± 0.0009 Å
b	15.1212 ± 0.0013 Å
c	25.985 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3154.8 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179805 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/01.	7010137.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010137.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010137.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010137.cif