Crystallography Open Database

Information card for entry 7215414

Preview

Coordinates	7215414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Cl6 N2 O6 Zn
Calculated formula	C24 H12 Cl6 N2 O6 Zn
Title of publication	Influence of chloro⋯chloro interaction and π‒π stacking in 3D supramolecular framework construction
Authors of publication	Sengupta, Satirtha; Goswami, Arijit; Ganguly, Sumi; Bala, Sukhen; Bhunia, Manas Kumar; Mondal, Raju
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	20
Pages of publication	6136
a	20.5213 ± 0.0011 Å
b	9.4618 ± 0.0005 Å
c	16.9888 ± 0.0009 Å
α	90°
β	126.518 ± 0.002°
γ	90°
Cell volume	2651.1 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0705
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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