Crystallography Open Database

Information card for entry 7215116

Preview

Coordinates	7215116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H33 N7 O6 Zn
Calculated formula	C28 H33 N7 O6 Zn
Title of publication	Multifunctional amino-decorated metal‒organic frameworks: nonlinear-optic, ferroelectric, fluorescence sensing and photocatalytic properties
Authors of publication	Wen, Lili; Zhou, Li; Zhang, Bingguang; Meng, Xianggao; Qu, Hua; Li, Dongfeng
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	42
Pages of publication	22603
a	20.661 ± 0.004 Å
b	11.567 ± 0.002 Å
c	14.227 ± 0.003 Å
α	90°
β	116.01 ± 0.03°
γ	90°
Cell volume	3055.7 ± 1.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1292
Weighted residual factors for all reflections included in the refinement	0.1331
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

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215116.cif
111084	2014-04-20	cif/ Adding structures of 7215115, 7215116, 7215117, 7215118 via cif-deposit CGI script.	7215116.cif