Crystallography Open Database

Information card for entry 4106064

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Coordinates	4106064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 N2 O5.5 Pt
Calculated formula	C22 H26 N2 O5.5 Pt
SMILES	[Pt]123Oc4ccccc4C=[N]2CCOCCOCCOCC[N]3=Cc2c(cccc2)O1.O
Title of publication	Highly Phosphorescent Crystals of Vaulted trans-Bis(salicylaldiminato)platinum(II) Complexes
Authors of publication	Naruyoshi Komiya; Minoru Okada; Kanako Fukumoto; Daisuke Jomori; Takeshi Naota
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6493 - 6496
a	19.5975 ± 0.0012 Å
b	28.5314 ± 0.0016 Å
c	17.758 ± 0.0011 Å
α	90°
β	152.238 ± 0.0008°
γ	90°
Cell volume	4625.1 ± 0.5 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for all reflections included in the refinement	0.0661
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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