Crystallography Open Database

Information card for entry 4303258

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Coordinates	4303258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H40 Cl6 N4 O Zn
Calculated formula	C27 H40 Cl6 N4 O Zn
Title of publication	New Zinc Complexes bearing κ2-Heteroscorpionate Ligands: Influence of Second-Sphere Bonding Interactions on Reactivity and Properties
Authors of publication	Stefano Milione; Carmine Capacchione; Cinzia Cuomo; Maria Strianese; Valerio Bertolasi; Alfonso Grassi
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	9510 - 9518
a	8.952 ± 0.0002 Å
b	19.7884 ± 0.0005 Å
c	19.6539 ± 0.0005 Å
α	90°
β	90.5096 ± 0.001°
γ	90°
Cell volume	3481.47 ± 0.15 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1027
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.2062
Weighted residual factors for all reflections included in the refinement	0.2248
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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