Crystallography Open Database

Information card for entry 7110039

Preview

Coordinates	7110039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 N2 O4 Pt
Calculated formula	C47 H48 N2 O4 Pt
SMILES	[Pt]12(c3c4c5[n]1c(c1c2cc(OCCCCOc2ccc(C(c6ccc(OCCCCOc(c3)cc4)cc6)(C)C)cc2)cc1)ccc5)[n]1cc(cc(c1)C)C
Title of publication	Acid-base responsive switching between '3+1' and '2+2' platinum complexes
Authors of publication	Dhassida Sooksawat; Sarah J. Pike; Alexandra M. Z. Slawin; Paul J. Lusby
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	11077
a	10.3265 ± 0.001 Å
b	13.6884 ± 0.0013 Å
c	15.3966 ± 0.0012 Å
α	110.841 ± 0.006°
β	107.42 ± 0.005°
γ	95.035 ± 0.005°
Cell volume	1894.1 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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