Crystallography Open Database

Information card for entry 7202549

7202548 << 7202549 >> 7202550

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Coordinates	7202549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cl3 N4 O6
Calculated formula	C28 H38 Cl3 N4 O6
Title of publication	Stacks of DMANH+? scaffolding for ribbon shaped Cl? bridged oxonium ions
Authors of publication	Lukasz Dobrzycki; Maksymilian Chruszcz; Wladek Minor; Krzysztof Woźniak
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	2
Pages of publication	152
a	13.1816 ± 0.0003 Å
b	11.8826 ± 0.0003 Å
c	22.35 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3500.72 ± 0.14 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0684
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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