Crystallography Open Database

Information card for entry 7111523

Preview

Coordinates	7111523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H73.98 Cd15 N72 O27.99 S4
Calculated formula	C36 H73.984 Cd15 N72 O27.992 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	21.514 ± 0.0001 Å
b	21.514 ± 0.0001 Å
c	21.514 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	9957.8 ± 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	0.0203
Residual factor for significantly intense reflections	0.0193
Weighted residual factors for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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