Crystallography Open Database

Information card for entry 4340168

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Coordinates	4340168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H75 Cl Cu2 N6 O10
Calculated formula	C45 H41 Cl Cu2 N6 O10
Title of publication	Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.
Authors of publication	Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	7
Pages of publication	2925 - 2941
a	14.981 ± 0.007 Å
b	16.995 ± 0.004 Å
c	20.765 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5287 ± 3 Å³
Cell temperature	155.2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	2.343
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4340168.cif
118658	2014-06-30	cif/ Adding structures of 4340167, 4340168, 4340169, 4340170, 4340171, 4340172, 4340173, 4340174, 4340175, 4340176, 4340177, 4340178, 4340179, 4340180 via cif-deposit CGI script.	4340168.cif