Crystallography Open Database

Information card for entry 8000425

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Structure parameters

Formula	C48 H36 Ag6 N18
Calculated formula	C48 H36 Ag6 N18
Title of publication	Revealing High-Lying Inter-System Crossing in Brightly Luminescent Cyclic Trinuclear Cu<sup>I</sup>/Ag<sup>I</sup> Complexes.
Authors of publication	Xing, Li-Rui; Lu, Zhou; Li, Mian; Zheng, Ji; Li, Dan
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Pages of publication	2067
a	11.5674 ± 0.0005 Å
b	8.5459 ± 0.0004 Å
c	25.4385 ± 0.0013 Å
α	90°
β	103.077 ± 0.005°
γ	90°
Cell volume	2449.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8000425.cif
248623	2020-03-03	cif/ Adding structures of 8000422, 8000423, 8000424, 8000425, 8000426, 8000427 via cif-deposit CGI script.	8000425.cif