Crystallography Open Database

Information card for entry 8104971

Preview

Coordinates	8104971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Cl4 I2 N3
Calculated formula	C21 H23 Cl4 I2 N3
Title of publication	Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3
Authors of publication	Xu, Xingyu; Qiu, Ping
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	1
Pages of publication	97 - 99
a	26.11 ± 0.002 Å
b	9.1149 ± 0.0008 Å
c	33.793 ± 0.003 Å
α	90°
β	134.138 ± 0.003°
γ	90°
Cell volume	5771.7 ± 0.9 Å³
Cell temperature	297.93 K
Ambient diffraction temperature	297.93 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1099
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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