Crystallography Open Database

Information card for entry 7705014

Preview

Coordinates	7705014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H59 P Pt S2
Calculated formula	C52 H59 P Pt S2
SMILES	[Pt]123(Sc4c(c5ccc([cH]2[cH]35)c2c(S1)c(C(C)(C)C)cc(c2)C(C)(C)C)cc(C(C)(C)C)cc4C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	11.4924 ± 0.0003 Å
b	13.2351 ± 0.0004 Å
c	15.96 ± 0.0005 Å
α	106.179 ± 0.002°
β	94.527 ± 0.002°
γ	99.208 ± 0.002°
Cell volume	2281.76 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0528
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
254791 (current)	2020-08-05	cif/ Adding structures of 7705007, 7705008, 7705009, 7705010, 7705011, 7705012, 7705013, 7705014, 7705015 via cif-deposit CGI script.	7705014.cif