Crystallography Open Database

Information card for entry 8106004

Preview

Coordinates	8106004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Cl2 O6
Calculated formula	C8 H8 Cl2 O6
Title of publication	The crystal structure of 2,5-dichloroterephthalic acid dihydrate, C8H8Cl2O6
Authors of publication	Du, Chao-Jun; Zhu, Yuan-Liang; Zeng, Yan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	6
Pages of publication	1273 - 1274
a	10.6836 ± 0.0009 Å
b	7.2382 ± 0.0006 Å
c	6.8585 ± 0.0005 Å
α	90°
β	92.85 ± 0.003°
γ	90°
Cell volume	529.71 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	4
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	0.0346
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.0597
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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