Crystallography Open Database

Information card for entry 4302656

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Coordinates	4302656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H32 N8 O4 Zn2
Calculated formula	C46 H32 N8 O4 Zn2
Title of publication	Efficient Catalytic Phosphate Ester Cleavage by Binuclear Zinc(II) Pyrazolate Complexes as Functional Models of Metallophosphatases
Authors of publication	Larysa V. Penkova; Anna Maciąg; Elena V. Rybak-Akimova; Matti Haukka; Vadim A. Pavlenko; Turganbay S. Iskenderov; Henryk Kozłowski; Franc Meyer; Igor O. Fritsky
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	6960 - 6971
a	13.8426 ± 0.0009 Å
b	28.9003 ± 0.0016 Å
c	14.5237 ± 0.0009 Å
α	90°
β	100.956 ± 0.004°
γ	90°
Cell volume	5704.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.182
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179064 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/26.	4302656.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302656.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302656.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302656.cif