Crystallography Open Database

Information card for entry 4340738

Preview

Coordinates	4340738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H61 F6 N9 O11 P2 Zn2
Calculated formula	C50 H61 F6 N9 O11 P2 Zn2
Title of publication	Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.
Authors of publication	Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	17
Pages of publication	9036 - 9051
a	14.5695 ± 0.0006 Å
b	23.3831 ± 0.0008 Å
c	17.1987 ± 0.0005 Å
α	90°
β	107.817 ± 0.004°
γ	90°
Cell volume	5578.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1115
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
179510 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/07.	4340738.cif
122957	2014-09-06	cif/ Updating files of 4340733, 4340734, 4340735, 4340736, 4340737, 4340738 Original log message: Adding full bibliography for 4340733--4340738.cif.	4340738.cif
122031	2014-08-18	cif/ Adding structures of 4340734, 4340735, 4340736, 4340737, 4340738 via cif-deposit CGI script.	4340738.cif