Crystallography Open Database

Information card for entry 7111520

Preview

Coordinates	7111520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H75 Cd15 N72 O28.5 S4
Calculated formula	C36 H74.992 Cd15 N72 O28.496 S4
Title of publication	Reversible shrinkage and expansion of a blue photofluorescent cadmium coordination polymer and in situ tetrazole ligand synthesis
Authors of publication	Deng, Hong; Qiu, Yong-Cai; Li, Ying-Hua; Liu, Zhi-Hui; Zeng, Rong-Hua; Zeller, Matthias; Batten, Stuart R.
Journal of publication	Chemical Communications
Year of publication	2008
Journal issue	19
Pages of publication	2239 - 2241
a	21.4983 ± 0.0001 Å
b	21.4983 ± 0.0001 Å
c	21.4983 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	9936.02 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	220
Hermann-Mauguin space group symbol	I -4 3 d
Hall space group symbol	I -4bd 2c 3
Residual factor for all reflections	0.0144
Residual factor for significantly intense reflections	0.0144
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0366
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111520.cif
96592	2014-01-29	cif/ Adding structures of 7111520, 7111521, 7111522, 7111523 via cif-deposit CGI script.	7111520.cif