Crystallography Open Database

Information card for entry 1519258

1519257 << 1519258 >> 1519259

Preview

Coordinates	1519258.cif

Structure parameters

Formula	C30 H24 N4 P2 Pt S2
Calculated formula	C30 H24 N4 P2 Pt S2
SMILES	C12N(C=CS2)[Pt]2(N3C=CSC3=N[P]2(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)N=1
Title of publication	C30H24N4P2PtS2
Authors of publication	Smith, Martin B.; Light, Mark E.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	735
a	14.9089 ± 0.0003 Å
b	11.4831 ± 0.0002 Å
c	16.9207 ± 0.0003 Å
α	90°
β	100.345 ± 0.001°
γ	90°
Cell volume	2849.74 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519258.cif
135600	2015-05-06	cif/ Adding structures of 1519258 via cif-deposit CGI script.	1519258.cif