Crystallography Open Database

Information card for entry 4118849

Preview

Coordinates	4118849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 N4 O4 Pt
Calculated formula	C27 H35 N4 O4 Pt
SMILES	[Pt]12(c3c(c4[n]1cccc4)cccc3c1[n]2cccc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C.OCC.OCC
Title of publication	NCN Pincer-Pt Complexes Coordinated by (Nitronyl Nitroxide)-2-ide Radical Anion
Authors of publication	Xun Zhang; Shuichi Suzuki; Masatoshi Kozaki; Keiji Okada
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	17866 - 17868
a	8.8562 ± 0.0013 Å
b	10.4837 ± 0.0019 Å
c	16.091 ± 0.003 Å
α	81.251 ± 0.017°
β	75.385 ± 0.017°
γ	66.316 ± 0.013°
Cell volume	1321.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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 all reflections	0.0713
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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