Crystallography Open Database

Information card for entry 7135886

Preview

Coordinates	7135886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 F2 N4 Pt2 S4
Calculated formula	C48 H34 F2 N4 Pt2 S4
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	11.3739 ± 0.001 Å
b	15.5577 ± 0.0012 Å
c	12.1253 ± 0.0011 Å
α	90°
β	98.352 ± 0.003°
γ	90°
Cell volume	2122.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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