Crystallography Open Database

Information card for entry 4505098

Preview

Coordinates	4505098.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cl2 Cu N8 O8
Calculated formula	C14 H16 Cl2 Cu N8 O8
Title of publication	Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands
Authors of publication	Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	5
Pages of publication	1775
a	9.131 ± 0.003 Å
b	9.253 ± 0.003 Å
c	12.435 ± 0.004 Å
α	90°
β	92.58 ± 0.005°
γ	90°
Cell volume	1049.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179585 (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 4/50/50.	4505098.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505098.cif
50162	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505095, 4505096, 4505097, 4505098, 4505099, 4505100, 4505101, 4505102 via cif-deposit CGI script.	4505098.cif