Crystallography Open Database

Information card for entry 7210889

Preview

Coordinates	7210889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 N4 O11 Zn
Calculated formula	C31 H21 N4 O11 Zn
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	8.0093 ± 0.0008 Å
b	9.0265 ± 0.0009 Å
c	22.4 ± 0.002 Å
α	86.845 ± 0.004°
β	85.477 ± 0.004°
γ	68.016 ± 0.003°
Cell volume	1496.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1568
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1678
Weighted residual factors for all reflections included in the refinement	0.218
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	7210889.cif
90141	2013-11-17	cif/ Adding structures of 7210884, 7210885, 7210886, 7210887, 7210888, 7210889 via cif-deposit CGI script.	7210889.cif