Crystallography Open Database

Information card for entry 4308331

Preview

Coordinates	4308331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H97 Cu4 N18 O46.5 P6
Calculated formula	C60 H55 Cu4 N18 O46.5 P6
Title of publication	Tetranuclear Copper(II) Complex with Glucose-1-phosphate and Its Phosphate Ester Exchange with ATP
Authors of publication	Merii Kato; Tomoaki Tanase
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8 - 10
a	10.9106 ± 0.0002 Å
b	12.7652 ± 0.0004 Å
c	17.4061 ± 0.0002 Å
α	76.852 ± 0.006°
β	72.075 ± 0.006°
γ	84.895 ± 0.007°
Cell volume	2245.64 ± 0.13 Å³
Cell temperature	153.2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4308331.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308331.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308331.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308331.cif