Crystallography Open Database

Information card for entry 4122895

Preview

Coordinates	4122895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 N4 O5 Pt S2
Calculated formula	C41 H39 N4 O5 Pt S2
Title of publication	Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors.
Authors of publication	Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141107065104007
a	11.298 ± 0.002 Å
b	13.599 ± 0.003 Å
c	13.964 ± 0.003 Å
α	75.51 ± 0.03°
β	86.77 ± 0.03°
γ	69.05 ± 0.03°
Cell volume	1938.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122895.cif
126665	2014-11-08	cif/ Adding structures of 4122895, 4122896, 4122897, 4122898 via cif-deposit CGI script.	4122895.cif