Crystallography Open Database

Information card for entry 7125291

Preview

Coordinates	7125291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cu4 I4 N4 O16 Zr3
Calculated formula	C24 H24 Cu4 I4 N4 O16 Zr3
Title of publication	Rational design of a flu-type heterometallic cluster-based Zr-MOF.
Authors of publication	Tan, Yan-Xi; Yang, Xue; Li, Bei-Bei; Yuan, Daqiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	94
Pages of publication	13671 - 13674
a	17.5411 ± 0.0005 Å
b	17.5411 ± 0.0005 Å
c	34.6975 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10676.1 ± 0.6 Å³
Cell temperature	240 ± 0.1 K
Ambient diffraction temperature	240 ± 0.1 K
Number of distinct elements	7
Space group number	139
Hermann-Mauguin space group symbol	I 4/m m m
Hall space group symbol	-I 4 2
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7125291.html