Crystallography Open Database

Information card for entry 7210886

Preview

Coordinates	7210886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H60 N6 O27 Zn4
Calculated formula	C56 H36 N6 O27 Zn4
Title of publication	Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties
Authors of publication	Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	37
Pages of publication	7522
a	28.157 ± 0.002 Å
b	16.659 ± 0.0012 Å
c	14.5584 ± 0.0011 Å
α	90°
β	93.284 ± 0.003°
γ	90°
Cell volume	6817.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1375
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180439 (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 7/21/08.	7210886.cif
90141	2013-11-17	cif/ Adding structures of 7210884, 7210885, 7210886, 7210887, 7210888, 7210889 via cif-deposit CGI script.	7210886.cif