Crystallography Open Database

Information card for entry 4509205

Preview

Coordinates	4509205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cu O5
Calculated formula	C14 H10 Cu O5
Title of publication	Supramolecular Isomerism of Metal−Organic Frameworks Derived from a Bicarboxylate Linker with Two Distinct Binding Motifs
Authors of publication	Feng, Lu; Chen, Zhenxia; Liao, Tengbiao; Li, Peng; Jia, Yu; Liu, Xiaofeng; Yang, Yongtai; Zhou, Yaming
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1505
a	18.119 ± 0.005 Å
b	18.119 ± 0.005 Å
c	12.935 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4247 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2087
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179628 (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 4/50/92.	4509205.cif
97164	2014-01-29	cif/ Adding structures of 4509205 via cif-deposit CGI script.	4509205.cif