Crystallography Open Database

Information card for entry 7251891

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Coordinates	7251891.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sn4-Cbz
Formula	C58 H77.97 Cl2 N4 O16 Sn4
Calculated formula	C58 H77.9737 Cl2 N4 O16 Sn4
Title of publication	Ligand Modification on Organotin-Oxo Clusters for Enhanced Third-Order Nonlinear Optical Response
Authors of publication	Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu
Journal of publication	CrystEngComm
Year of publication	2026
a	15.0434 ± 0.0002 Å
b	15.2331 ± 0.0003 Å
c	29.7454 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6816.4 ± 0.2 Å³
Cell temperature	99.99 ± 0.14 K
Ambient diffraction temperature	99.99 ± 0.14 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2353
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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