Crystallography Open Database

Information card for entry 7115636

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Coordinates	7115636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 N5 Pt
Calculated formula	C54 H40 N5 Pt
SMILES	[Pt]123([n]4c5ccc4=C(c4n1c(cc4)C(=c1[n]2c(cc1)C(=c1[n]3c5cc1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)(c1cccc(c1)C#N)c1ccc(cc1)C
Title of publication	Platinum corroles
Authors of publication	Abraham B. Alemayehu; Hugo Vazquez-Lima; Christine M. Beavers; Kevin J. Gagnon; Jesper Bendix; Abhik Ghosh
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	11093
a	9.5493 ± 0.0009 Å
b	12.9707 ± 0.0013 Å
c	17.3628 ± 0.0017 Å
α	106.105 ± 0.0011°
β	96.859 ± 0.0012°
γ	93.679 ± 0.0012°
Cell volume	2040.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0231
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0523
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	0.6199 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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