Crystallography Open Database

Information card for entry 7250320

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Coordinates	7250320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl5 In N2 O2
Calculated formula	C12 H16 Cl5 In N2 O2
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	18.6884 ± 0.0005 Å
b	13.4365 ± 0.0004 Å
c	14.1149 ± 0.0004 Å
α	90°
β	95.665 ± 0.003°
γ	90°
Cell volume	3527.04 ± 0.17 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0169
Weighted residual factors for significantly intense reflections	0.0412
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.0446
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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