Crystallography Open Database

Information card for entry 1571783

Preview

Coordinates	1571783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H108 N4 Pt Si4
Calculated formula	C96 H108 N4 Pt Si4
Title of publication	Synergistic <i>meso</i>-β regulation of porphyrins: squeezing the band gap into the near-infrared I/II region.
Authors of publication	Qu, Chulin; Gong, Xinxin; Sun, Yufen; Gao, Hu; Cai, Fangjian; Zhao, Yue; Wu, Fan; Shen, Zhen
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	27
Pages of publication	10491 - 10498
a	19.3505 ± 0.0003 Å
b	19.3505 ± 0.0003 Å
c	21.7466 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8142.8 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0546
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
293757 (current)	2024-08-05	cif/ Updating files of 1571783, 1571784 Original log message: Adding full bibliography for 1571783--1571784.cif.	1571783.cif
292232	2024-06-07	cif/ Adding structures of 1571783, 1571784 via cif-deposit CGI script.	1571783.cif