Crystallography Open Database

Information card for entry 7226649

Preview

Coordinates	7226649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cu8 I4 N4 O20
Calculated formula	C28 H12 Cu8 I4 N4 O20
Title of publication	Ligand-oriented assembly of a porous metal‒organic framework by [CuI4I4] clusters and paddle-wheel [CuII2(COO)4(H2O)2] subunits
Authors of publication	Wang, Guoming; Xue, Zhenzhen; Pan, Jie; Wei, Li; Han, Songde; Qian, Jinjie; Wang, Zonghua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	43
Pages of publication	8362
a	19.3577 ± 0.0013 Å
b	19.3577 ± 0.0013 Å
c	11.0242 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	4131 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.07
Weighted residual factors for significantly intense reflections	0.1972
Weighted residual factors for all reflections included in the refinement	0.2075
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
188087 (current)	2016-11-08	cif/ Updating files of 7226649 Original log message: Adding full bibliography for 7226649.cif.	7226649.cif
186776	2016-09-25	cif/ Adding structures of 7226649 via cif-deposit CGI script.	7226649.cif