Crystallography Open Database

Information card for entry 7210885

Preview

Coordinates	7210885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H62 Cd3 N10 O17
Calculated formula	C80 H56 Cd3 N10 O17
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	24.1977 ± 0.0017 Å
b	13.9528 ± 0.001 Å
c	25.1006 ± 0.0018 Å
α	90°
β	96.677 ± 0.002°
γ	90°
Cell volume	8417.1 ± 1 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	0.0795
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
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.	7210885.cif
90141	2013-11-17	cif/ Adding structures of 7210884, 7210885, 7210886, 7210887, 7210888, 7210889 via cif-deposit CGI script.	7210885.cif