Crystallography Open Database

Information card for entry 7250324

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Coordinates	7250324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H100 Cl40 N16 O Sb8
Calculated formula	C96 H100 Cl40 N16 O Sb8
Title of publication	Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals
Authors of publication	Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	19
Pages of publication	2993 - 2997
a	11.2944 ± 0.0005 Å
b	37.3407 ± 0.0014 Å
c	15.8762 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6695.6 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	1.0347
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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