Crystallography Open Database

Information card for entry 7100315

Preview

Coordinates	7100315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H82 Cl2 N6 O8 Pd
Calculated formula	C66 H82 Cl2 N6 O8 Pd
SMILES	[Pd](Cl)(Cl)([n]1c2COCc3ccc(OCCCCCCCCCCOc4ccc(COCc1ccc2)cc4)cc3)[N]#CC.C1NC(=O)c2nc(ccc2)C(=O)NCc2ccc(OCCCCCCCCCCOc3ccc1cc3)cc2.N#CC
Title of publication	Half-rotation in a [2]catenane via interconvertible Pd(II) coordination modes
Authors of publication	D.A. Leigh; Paul J. Lusby; Alexandra M.Z. Slawin; D.Barney Walker
Journal of publication	Chemical Communications
Year of publication	2005
a	9.8106 ± 0.0008 Å
b	25.305 ± 0.002 Å
c	26.82 ± 0.002 Å
α	73.971 ± 0.004°
β	82.771 ± 0.006°
γ	88.05 ± 0.006°
Cell volume	6348.3 ± 0.9 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 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

Version history

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