Crystallography Open Database

Information card for entry 4348673

Preview

Coordinates	4348673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H78 N2 P4 Pt2
Calculated formula	C52 H78 N2 P4 Pt2
SMILES	C(#Cc1cccc(c1)/N=N/c1cccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2ccccc2)c1)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccccc1
Title of publication	Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes.
Authors of publication	Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Skelton, Jonathan M.; Molloy, Kieran C.; Raithby, Paul R.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	21
Pages of publication	10955 - 10967
a	18.7794 ± 0.0004 Å
b	10.5232 ± 0.0002 Å
c	14.8114 ± 0.0003 Å
α	90°
β	110.929 ± 0.003°
γ	90°
Cell volume	2733.91 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
233254 (current)	2019-11-23	cif/ Adding structures of 4348673 via cif-deposit CGI script.	4348673.cif