Crystallography Open Database

Information card for entry 4509897

Preview

Coordinates	4509897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O6 Zn
Calculated formula	C26 H20 N2 O6 Zn
Title of publication	Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups
Authors of publication	Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	491
a	9.6191 ± 0.001 Å
b	10.0535 ± 0.0011 Å
c	12.8335 ± 0.0014 Å
α	71.676 ± 0.001°
β	87.048 ± 0.002°
γ	75.916 ± 0.001°
Cell volume	1142.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0723
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2037
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179634 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/98.	4509897.cif
104115	2014-03-10	cif/ Adding structures of 4509897, 4509898, 4509899, 4509900, 4509901 via cif-deposit CGI script.	4509897.cif