Crystallography Open Database

Information card for entry 7135885

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Coordinates	7135885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H34 N6 Pt2 S6
Calculated formula	C54 H34 N6 Pt2 S6
Title of publication	Unlocking efficient near-infrared circularly polarized phosphorescence reaching 800 nm in cyclometalated Pt(II) complexes.
Authors of publication	Gu, Shilin; Li, Dongsheng; Long, Deng; Yu, Xinglin; Li, Wentao; Ma, Sihan; Tao, Peng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	39
Pages of publication	9904 - 9908
a	12.5446 ± 0.0009 Å
b	19.2471 ± 0.0015 Å
c	22.0945 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5334.7 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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