Crystallography Open Database

Information card for entry 7002879

Preview

Coordinates	7002879.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C32H22N4)2Pt2(BF4)4(C6H6O2)(Me2SO)5(C6H6)(H2O)3.5
Formula	C86 H94 B4 F16 N8 O11 Pt2 S5
Calculated formula	C86 H86 B4 F16 N8 O11 Pt2 S5
Title of publication	Selective binding of benzenediol derivatives by simultaneous non-covalent interactions in bis-Pt(II) aza-aromatic host‒guest system
Authors of publication	Trokowski, Robert; Akine, Shigehisa; Nabeshima, Tatsuya
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	46
Pages of publication	10359 - 10366
a	10.383 ± 0.002 Å
b	16.982 ± 0.005 Å
c	18.087 ± 0.006 Å
α	115.363 ± 0.012°
β	93.652 ± 0.013°
γ	100.697 ± 0.01°
Cell volume	2794.6 ± 1.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2161
Weighted residual factors for all reflections included in the refinement	0.2287
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179732 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/28.	7002879.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002879.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002879.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002879.cif