Crystallography Open Database

Information card for entry 4510336

Preview

Coordinates	4510336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H50 N2 O21 Zn4
Calculated formula	C54 H45 N2 O21 Zn4
Title of publication	Reversible Structural Flexibility and Sensing Properties of a Zn(II) Metal‒Organic Framework: Phase Transformation between Interpenetrating 3D Net and 2D Sheet
Authors of publication	Kim, Yeonga; Song, Jeong Hwa; Lee, Woo Ram; Phang, Won Ju; Lim, Kwang Soo; Hong, Chang Seop
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1933
a	17.0836 ± 0.0011 Å
b	16.9192 ± 0.0011 Å
c	21.0915 ± 0.0014 Å
α	90°
β	110.954 ± 0.004°
γ	90°
Cell volume	5693.1 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0766
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510336.cif
109048	2014-04-07	cif/ Adding structures of 4510336 via cif-deposit CGI script.	4510336.cif