Crystallography Open Database

Information card for entry 7108091

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Coordinates	7108091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H61 Cl12 N8 Tb
Calculated formula	C92 H61 Cl12 N8 Tb
Title of publication	Proton-induced switching of the single molecule magnetic properties of a porphyrin based TbIII double-decker complex
Authors of publication	Daisuke Tanaka; Tomoko Inose; Hirofumi Tanaka; Sunri Lee; Naoto Ishikawa; Takuji Ogawa
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	7796
a	16.03 ± 0.0005 Å
b	17.0927 ± 0.0005 Å
c	30.017 ± 0.0008 Å
α	90°
β	91.7771 ± 0.0008°
γ	90°
Cell volume	8220.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.212
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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