Crystallography Open Database

Information card for entry 4340171

Preview

Coordinates	4340171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H58 Cl3 Cu2 N7 O12
Calculated formula	C57.5 H55 Cl3 Cu2 N7 O12
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	14.203 ± 0.001 Å
b	18.0006 ± 0.0005 Å
c	11.475 ± 0.002 Å
α	103.56 ± 0.02°
β	92.28 ± 0.02°
γ	80.32 ± 0.02°
Cell volume	2811.3 ± 0.6 Å³
Cell temperature	153.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	2.156
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.	4340171.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.	4340171.cif