Crystallography Open Database

Information card for entry 4314967

Preview

Coordinates	4314967.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LZn3(OAc)2(MeOH)2](CHCl3)(MeOH)0.5
Formula	C39.5 H47 Cl3 N4 O16.5 Zn3
Calculated formula	C39.5 H47 Cl3 N4 O16.5 Zn3
Title of publication	Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by Covalent Transformation of Olefinic Functionalities
Authors of publication	Shigehisa Akine; Satoko Kagiyama; Tatsuya Nabeshima
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2141 - 2152
a	13.35 ± 0.006 Å
b	14.073 ± 0.004 Å
c	14.187 ± 0.004 Å
α	83.293 ± 0.012°
β	68.602 ± 0.015°
γ	70.833 ± 0.014°
Cell volume	2344.1 ± 1.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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 all reflections	0.0559
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4314967.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314967.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314967.cif
8110	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314967 via cif-deposit CGI script.	4314967.cif