Crystallography Open Database

Information card for entry 4333994

Preview

Coordinates	4333994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 Cd N8 O16
Calculated formula	C25 H34 Cd N8 O16
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	16.3137 ± 0.001 Å
b	13.3549 ± 0.0008 Å
c	17.2465 ± 0.0011 Å
α	90°
β	115.163 ± 0.001°
γ	90°
Cell volume	3400.9 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1199
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
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.	4333994.cif
99803	2014-02-03	cif/ Adding structures of 4333994 via cif-deposit CGI script.	4333994.cif