Crystallography Open Database

Information card for entry 1572566

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Coordinates	1572566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20 N2 Pt
Calculated formula	C30 H20 N2 Pt
Title of publication	π-Extended ligands with dual-binding behavior: hindered rotation unlocks unexpected reactivity in cyclometalated Pt complexes
Authors of publication	Ota, Seiya; Soto, Miguel A.; Patrick, Brian O.; Kamal, Saeid; Lelj, Francesco; MacLachlan, Mark J.
Journal of publication	Chemical Science
Year of publication	2024
a	16.2246 ± 0.0007 Å
b	7.6549 ± 0.0003 Å
c	18.0393 ± 0.0008 Å
α	90°
β	109.503 ± 0.001°
γ	90°
Cell volume	2111.89 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0168
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0302
Weighted residual factors for all reflections included in the refinement	0.0311
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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