Crystallography Open Database

Information card for entry 1506846

Preview

Coordinates	1506846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H76 P2 Pt
Calculated formula	C56 H76 P2 Pt
SMILES	[Pt]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(C#Cc1ccc(cc1)/C=C/c1ccccc1)C#Cc1ccc(cc1)/C=C/c1ccccc1
Title of publication	Photophysics and Photochemistry of Stilbene-Containing Platinum Acetylides
Authors of publication	Haskins-Glusac, Ksenija; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2004
Journal volume	108
Journal issue	16
Pages of publication	4969
a	10.0075 ± 0.0005 Å
b	10.7197 ± 0.0006 Å
c	12.8122 ± 0.0007 Å
α	101.67 ± 0.001°
β	109.882 ± 0.001°
γ	95.533 ± 0.001°
Cell volume	1245.28 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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.	1506846.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506846.cif
51485	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506846 via cif-deposit CGI script.	1506846.cif