Crystallography Open Database

Information card for entry 2014551

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Structure parameters

Common name	KAPdimerneedle
Chemical name	Potassium hydrogen diphthalate dihydrate
Formula	C16 H15 K O10
Calculated formula	C16 H15 K O10
Title of publication	Potassium hydrogen diphthalate dihydrate: a new structure and correction to the literature
Authors of publication	Jason B. Benedict; Theresa Bullard; Werner Kaminsky; Bart Kahr
Journal of publication	Acta Crystallographica Section C
Year of publication	2004
Journal volume	60
Journal issue	11
Pages of publication	m551 - m553
a	13.583 ± 0.0003 Å
b	21.127 ± 0.0005 Å
c	6.817 ± 0.0002 Å
α	90°
β	116.552 ± 0.0011°
γ	90°
Cell volume	1749.93 ± 0.08 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
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	0.0447
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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