Crystallography Open Database

Information card for entry 7201534

7201533 << 7201534 >> 7201535

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Coordinates	7201534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H11 Cl10 N O2
Calculated formula	C19 H11 Cl10 N O2
SMILES	Clc1c([O-])c(Cl)c(Cl)c(Cl)c1Cl.Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl.[nH+]1c(ccc(c1)C)C
Title of publication	Hydrogen transfer in pentachlorophenol ‒ dimethylpyridine complexes
Authors of publication	Schmidtmann, Marc; Wilson, Chick C.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	2
Pages of publication	177
a	9.342 ± 0.0005 Å
b	11.5145 ± 0.0007 Å
c	12.2668 ± 0.0008 Å
α	94.367 ± 0.004°
β	104.227 ± 0.003°
γ	107.084 ± 0.003°
Cell volume	1206.84 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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