Crystallography Open Database

Information card for entry 7217914

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Coordinates	7217914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N3 O5 Zn
Calculated formula	C26.994 H22 N3 O5 Zn
Title of publication	The role of C‒H⋯π interactions in modulating the breathing amplitude of a 2D square lattice net: alcohol sorption studies
Authors of publication	Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	35
Pages of publication	8160
a	11.5361 ± 0.0003 Å
b	11.5361 ± 0.0003 Å
c	37.3168 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4966.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7215499
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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