Crystallography Open Database

Information card for entry 4000955

Preview

Coordinates	4000955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H76 N2 P4 Pt2 S7
Calculated formula	C62 H76 N2 P4 Pt2 S7
Title of publication	Solution-Processable Crystalline Platinum-Acetylide Oligomers with Broadband Absorption for Photovoltaic Cells
Authors of publication	Zhao, Xiaoyong; Piliego, Claudia; Kim, BongSoo; Poulsen, Daniel A.; Ma, Biwu; Unruh, David A.; Fréchet, Jean M. J.
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	7
Pages of publication	2325
a	14.1061 ± 0.0013 Å
b	15.1571 ± 0.0014 Å
c	15.5414 ± 0.0015 Å
α	97.079 ± 0.001°
β	96.718 ± 0.001°
γ	90.344 ± 0.001°
Cell volume	3274.2 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0778
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000955.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000955.cif
36600	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000955 via cif-deposit CGI script.	4000955.cif