Crystallography Open Database

Information card for entry 7133387

Preview

Coordinates	7133387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C294 H224 Ag8 N8 O36 P8 Ti4
Calculated formula	C294 H224 Ag8 N8 O36 P8 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	35.6145 ± 0.0004 Å
b	22.6414 ± 0.0002 Å
c	47.7519 ± 0.0007 Å
α	90°
β	110.16 ± 0.002°
γ	90°
Cell volume	36146.3 ± 0.9 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.129
Residual factor for significantly intense reflections	0.109
Weighted residual factors for significantly intense reflections	0.2924
Weighted residual factors for all reflections included in the refinement	0.312
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
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.	7133387.cif
293527	2024-07-25	cif/ Adding structures of 7133385, 7133386, 7133387 via cif-deposit CGI script.	7133387.cif