Crystallography Open Database

Information card for entry 1545751

Preview

Coordinates	1545751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H80 N2 O10
Calculated formula	C67 H80 N2 O10
SMILES	O(c1cc2Cc3c(c4ccncc4)cc(c(c3)c3ccncc3)Cc3c(OCC)cc(Cc4c(OCC)cc(Cc5c(OCC)cc(Cc1cc2OCC)c(OCC)c5)c(OCC)c4)c(OCC)c3)CC.O=C(C)C.O=C(C)C
Title of publication	Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions
Authors of publication	li, zhengtao; Xing, Hao; Shi, Bingbing
Journal of publication	Polym. Chem.
Year of publication	2017
a	25.3293 ± 0.0007 Å
b	20.1695 ± 0.0005 Å
c	23.6895 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	12102.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.1727
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.3001
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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