Crystallography Open Database

Information card for entry 4333993

Preview

Coordinates	4333993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 N8 O14 Zn
Calculated formula	C21 H18 N8 O14 Zn
Title of publication	Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis
Authors of publication	Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2265 - 2267
a	19.707 ± 0.003 Å
b	19.707 ± 0.003 Å
c	15.51 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6023.6 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.2376
Weighted residual factors for all reflections included in the refinement	0.2459
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179442 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/39.	4333993.cif
99802	2014-02-03	cif/ Adding structures of 4333993 via cif-deposit CGI script.	4333993.cif