Crystallography Open Database

Information card for entry 7133386

Preview

Coordinates	7133386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H132 Ag2 N4 O36 P4 Ti4
Calculated formula	C212 H132 Ag2 N4 O36 P4 Ti4
Title of publication	Combining Ti<sub>4</sub>(embonate)<sub>6</sub> anionic cages and π-conjugated coordination cations for highly effective optical limiting.
Authors of publication	Yuan, Yuan; Zhang, Dong-Hui; Li, Qiao-Hong; Chen, Shu-Mei; He, Yan-Ping; Zhang, Jian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	66
Pages of publication	8748 - 8751
a	20.4503 ± 0.0004 Å
b	20.4503 ± 0.0004 Å
c	54.8956 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	22958.2 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294436 (current)	2024-09-06	cif/ Updating files of 7133385, 7133386, 7133387 Original log message: Adding full bibliography for 7133385--7133387.cif.	7133386.cif
293527	2024-07-25	cif/ Adding structures of 7133385, 7133386, 7133387 via cif-deposit CGI script.	7133386.cif