Crystallography Open Database

Information card for entry 2242027

2242026 << 2242027 >> 2242028

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Structure parameters

Common name	potassium <i>p</i>-arsanilate sesquihydrate
Chemical name	Poly[di-μ~3~-4-aminophenylarsonato-tri-μ~2~-aqua-dipotassium]
Formula	C6 H10 As K N O4.5
Calculated formula	C6 H10 As K N O4.5
SMILES	[K+].O.c1(ccc(cc1)N)[As](=O)(O)[O-].O
Title of publication	Crystal structures and hydrogen bonding in the isotypic series of hydrated alkali metal (K, Rb and Cs) complexes with 4-aminophenylarsonic acid
Authors of publication	Smith, Graham; Wermuth, Urs D.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	2
Pages of publication	203 - 208
a	24.3426 ± 0.0018 Å
b	10.4266 ± 0.0007 Å
c	7.8315 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1987.7 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.231
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
196234 (current)	2017-05-05	cif/2 Fixing Z values and formulae	2242027.cif 2242027.hkl
190796	2017-01-21	cif/ hkl/ Adding structures of 2242027, 2242028, 2242029 via cif-deposit CGI script.	2242027.cif 2242027.hkl