Crystallography Open Database

Information card for entry 1575191

Preview

Coordinates	1575191.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Sr-NDI@An
Formula	C56 H48 N6 O16 Sr2
Calculated formula	C56 H48 N6 O16 Sr2
Title of publication	Wavelength-dependent tri-state photoswitching in crystals <i>via</i> synergistic dimer confinement and charge-transfer stacking.
Authors of publication	Huang, Zhi; Wei, Jianwei; Wang, Xiang-Yu; Xu, Shaojie; Huang, Ling; Zeng, Le
Journal of publication	Materials horizons
Year of publication	2025
Journal volume	12
Journal issue	21
Pages of publication	9079 - 9086
a	28.4224 ± 0.0001 Å
b	28.4224 ± 0.0001 Å
c	13.716 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	11080.2 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0672
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.1919
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
303975 (current)	2025-11-30	cif/ Updating files of 1575190, 1575191 Original log message: Adding full bibliography for 1575190--1575191.cif.	1575191.cif
301326	2025-07-22	cif/ Adding structures of 1575190, 1575191 via cif-deposit CGI script.	1575191.cif