Crystallography Open Database

Information card for entry 4314968

Preview

Coordinates	4314968.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LZn3(OAc)2(MeOH)](CHCl3)0.7(H2O)0.5
Formula	C35.7 H37.7 Cl2.1 N4 O15.5 Zn3
Calculated formula	C35.7 H36.7 Cl2.1 N4 O15.5 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	10.564 ± 0.003 Å
b	23.317 ± 0.005 Å
c	16.731 ± 0.005 Å
α	90°
β	99.821 ± 0.011°
γ	90°
Cell volume	4060.8 ± 1.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
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	0.0541
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	4314968.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314968.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314968.cif
8111	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314968 via cif-deposit CGI script.	4314968.cif