Crystallography Open Database

Information card for entry 7215499

Preview

Coordinates	7215499.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
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180485 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/54.	7215499.cif
123385	2014-09-08	cif/ Updating files of 7215499, 7215500, 7215501 Original log message: Adding full bibliography for 7215499--7215501.cif.	7215499.cif
112438	2014-05-01	cif/ Adding structures of 7215499, 7215500, 7215501 via cif-deposit CGI script.	7215499.cif