Crystallography Open Database

Information card for entry 4340167

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Coordinates	4340167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H79 Cu2 N7 O14
Calculated formula	C46 H71 Cu2 N7 O14
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	17.0927 ± 0.0005 Å
b	15.01 ± 0.0005 Å
c	20.8189 ± 0.0005 Å
α	90°
β	93.2538 ± 0.0004°
γ	90°
Cell volume	5332.7 ± 0.3 Å³
Cell temperature	153.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	2.567
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.	4340167.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.	4340167.cif