Crystallography Open Database

Information card for entry 4327434

Preview

Coordinates	4327434.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pt(Hdepdt)2-DMAC
Formula	C24 H40 N6 O2 Pt S4
Calculated formula	C24 H40 N6 O2 Pt S4
SMILES	C(=O)(N(C)C)C.[Pt]12(Sc3c([nH]c(c(CC)n3)CC)=[S]1)[S]=c1c(nc(c(CC)[nH]1)CC)S2.C(=O)(N(C)C)C
Title of publication	Synthesis, Structure, and Cooperative Proton-Electron Transfer Reaction of Bis(5,6-diethylpyrazinedithiolato)metal Complexes (M = Ni, Pd, Pt)
Authors of publication	Takashi Kubo; Misako Ohsahi; Katsuaki Miyazaki; Akio Ichimura; Kazuhiro Nakasuji
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7301 - 7307
a	15.905 ± 0.015 Å
b	12.227 ± 0.009 Å
c	15.752 ± 0.014 Å
α	90°
β	97.07 ± 0.03°
γ	90°
Cell volume	3040 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0486
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	0.85
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179377 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74.	4327434.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327434.cif
61205	2012-06-25	cif/ Adding structures of 4327434 via cif-deposit CGI script.	4327434.cif