Crystallography Open Database

Information card for entry 4311225

Preview

Coordinates	4311225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H80 Cl2 N13 O20 P Zn4
Calculated formula	C39 H66 Cl2 N13 O20.22 P Zn4
Title of publication	Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases
Authors of publication	Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4189 - 4202
a	17.586 ± 0.004 Å
b	14.211 ± 0.003 Å
c	12.943 ± 0.003 Å
α	90°
β	109.96 ± 0.03°
γ	90°
Cell volume	3040.3 ± 1.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	7
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179151 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12.	4311225.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311225.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311225.cif
2720	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311225 via cif-deposit CGI script.	4311225.cif