Crystallography Open Database

Information card for entry 1574538

Preview

Coordinates	1574538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H45 F3 N3 O3 P Pt
Calculated formula	C44 H31 F3 N3 O3 P Pt
Title of publication	Building metal-induced inherent chirality: chiral stability/phosphorescence enhancement via a ring expansion strategy of Pt(ii) complexes
Authors of publication	Shi, Yingshuang; Tang, Ke; Zhang, Jincheng; Hu, Ping; Wang, Bi-Qin; Zhao, Ke-Qing; Zhou, Yuqiao; Xiang, Haifeng; Song, Jintong
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	21
Pages of publication	9135 - 9142
a	12.972 ± 0.002 Å
b	22.815 ± 0.004 Å
c	14.119 ± 0.003 Å
α	90°
β	91.864 ± 0.007°
γ	90°
Cell volume	4176.4 ± 1.3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	7
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	0.0701
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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

Version history

Revision	Date	Message	Files
300667 (current)	2025-07-06	cif/ Updating files of 1574533, 1574534, 1574535, 1574536, 1574537, 1574538, 1574539 Original log message: Adding full bibliography for 1574533--1574539.cif.	1574538.cif
299438	2025-04-29	cif/ Adding structures of 1574533, 1574534, 1574535, 1574536, 1574537, 1574538, 1574539 via cif-deposit CGI script.	1574538.cif