Crystallography Open Database

Information card for entry 4100773

Preview

Coordinates	4100773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H146 Cl6 O8 P8 Pt4
Calculated formula	C90 H146 Cl6 O8 P8 Pt4
SMILES	C1(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2cccc3cc4cccc(c4cc23)[Pt](OC(=O)C=CC=CC(=O)O[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c2cccc3cc4cccc(c4cc23)[Pt](OC(=O)C=CC=C1)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Authors of publication	Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2464 - 2473
a	12.293 ± 0.0002 Å
b	13.3346 ± 0.0002 Å
c	18.4568 ± 0.0003 Å
α	83.6936 ± 0.0011°
β	82.6978 ± 0.0009°
γ	63.396 ± 0.001°
Cell volume	2678.43 ± 0.07 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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