Crystallography Open Database

Information card for entry 7111354

Preview

Coordinates	7111354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H62 N4 O4 P2 Pt
Calculated formula	C66 H62 N4 O4 P2 Pt
SMILES	C(#Cc1ccc(C2=N(=O)C(C)(C)C([N]2=O)(C)C)cc1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C1=N(=O)C(C)(C)C([N]1=O)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Intramolecular exchange interaction in twofold spin-labelled platinum complexes
Authors of publication	Stroh, Christophe; Mayor, Marcel; von H�nisch, Carsten; Turek, Philippe
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2050 - 2051
a	34.963 ± 0.007 Å
b	9.4928 ± 0.0019 Å
c	19.323 ± 0.004 Å
α	90°
β	119.33 ± 0.03°
γ	90°
Cell volume	5591 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0452
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180227 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111354.cif
96449	2014-01-29	cif/ Adding structures of 7111353, 7111354 via cif-deposit CGI script.	7111354.cif