Crystallography Open Database

Information card for entry 4340166

Preview

Coordinates	4340166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Cu N2 O9
Calculated formula	C26 H16 Cu N2 O9
Title of publication	One dense and two open chiral metal-organic frameworks: crystal structures and physical properties.
Authors of publication	Zang, Shuangquan; Su, Yang; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	7
Pages of publication	2972 - 2978
a	10.963 ± 0.002 Å
b	10.963 ± 0.002 Å
c	16.034 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1668.9 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340166.cif
118657	2014-06-30	cif/ Adding structures of 4340166 via cif-deposit CGI script.	4340166.cif