Crystallography Open Database

Information card for entry 7212016

7212015 << 7212016 >> 7212017

Preview

Coordinates	7212016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H72 Cu31 I4 N96 O32 S32
Calculated formula	C48 H72 Cu31 I4 N96 O31.996 S31.996
Title of publication	Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell
Authors of publication	Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	55
a	36.6289 ± 0.0011 Å
b	36.6289 ± 0.0011 Å
c	36.6289 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	49144 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	219
Hermann-Mauguin space group symbol	F -4 3 c
Hall space group symbol	F -4a 2 3
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
180451 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/20.	7212016.cif
92545	2014-01-12	cif/ Adding structures of 7212014, 7212015, 7212016 via cif-deposit CGI script.	7212016.cif