Crystallography Open Database

Information card for entry 7244995

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Coordinates	7244995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H5.5 Cl N2.5
Calculated formula	C12 H5.5 Cl N2.5
Title of publication	Near-infrared photothermal conversion property of carbazole-based cocrystals with different degree of charge transfer
Authors of publication	Shi, Pan; Liu, Xiao-Xu; Dai, Xia-Lin; Lu, Tongbu; Chen, Jia-Mei
Journal of publication	CrystEngComm
Year of publication	2022
a	12.15 ± 0.0002 Å
b	13.1041 ± 0.0002 Å
c	13.7735 ± 0.0002 Å
α	90°
β	112.503 ± 0.002°
γ	90°
Cell volume	2025.97 ± 0.06 Å³
Cell temperature	292.1 ± 0.8 K
Ambient diffraction temperature	292.1 ± 0.8 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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