Crystallography Open Database

Information card for entry 4314978

Preview

Coordinates	4314978.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[cis-LZn2Ba(OAc)2]_0.5MeOH
Formula	C34.5 H34 Ba N4 O14.5 Zn2
Calculated formula	C34.5 H34 Ba N4 O14.5 Zn2
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	10.588 ± 0.0006 Å
b	13.0232 ± 0.0007 Å
c	15.2344 ± 0.0008 Å
α	103.54 ± 0.0016°
β	107.763 ± 0.0015°
γ	102.67 ± 0.0017°
Cell volume	1846.52 ± 0.18 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	0.0476
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1105
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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