Crystallography Open Database

Information card for entry 4503208

Preview

Coordinates	4503208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 N2 O7 Zn
Calculated formula	C14 H13 N2 O7 Zn
Title of publication	Hydrothermal Synthesis of Metal−Organic Frameworks Based on Aromatic Polycarboxylate and Flexible Bis(imidazole) Ligands
Authors of publication	Qi, Yan; Luo, Feng; Che, Yunxia; Zheng, Jimin
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	606
a	8.7582 ± 0.0018 Å
b	8.8731 ± 0.0018 Å
c	10.21 ± 0.002 Å
α	95.59 ± 0.03°
β	100.37 ± 0.03°
γ	102.6 ± 0.03°
Cell volume	753.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.029
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
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
179563 (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 4/50/32.	4503208.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503208.cif
41413	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503208 via cif-deposit CGI script.	4503208.cif