Crystallography Open Database

Information card for entry 4504303

Preview

Coordinates	4504303.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu(Salhis)imidazole H2O
Formula	C128 H136 Cu8 N40 O36
Calculated formula	C128 H136 Cu8 N40 O36
Title of publication	Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex
Authors of publication	Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	9
Pages of publication	1818
a	19.625 ± 0.012 Å
b	9.617 ± 0.006 Å
c	41.56 ± 0.03 Å
α	90°
β	92.26 ± 0.011°
γ	90°
Cell volume	7838 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.208
Residual factor for significantly intense reflections	0.1044
Weighted residual factors for significantly intense reflections	0.2324
Weighted residual factors for all reflections included in the refinement	0.2932
Goodness-of-fit parameter for all reflections included in the refinement	0.955
Diffraction radiation probe	x-ray
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
179578 (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 4/50/43.	4504303.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504303.cif
45038	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504303 via cif-deposit CGI script.	4504303.cif