Crystallography Open Database

Information card for entry 7705011

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Coordinates	7705011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C142 H174 F6 P2 Pt2 S4
Calculated formula	C142 H174 F6 P2 Pt2 S4
Title of publication	A four-parameter system for rationalising the electronic properties of transition metal-radical ligand complexes.
Authors of publication	Mews, N. M.; Reimann, M.; Hörner, G; Kaupp, M.; Schubert, H.; Berkefeld, A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	28
Pages of publication	9735 - 9742
a	9.853 ± 0.0002 Å
b	31.8471 ± 0.0006 Å
c	20.0163 ± 0.0004 Å
α	90°
β	93.063 ± 0.001°
γ	90°
Cell volume	6271.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.017
Residual factor for significantly intense reflections	0.0151
Weighted residual factors for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.0372
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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