Crystallography Open Database

Information card for entry 4309748

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Coordinates	4309748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 Cl2 N6 O9 Zn
Calculated formula	C25 H30 Cl2 N6 O9 Zn
Title of publication	A Deprotonated Intermediate in the Amide Methanolysis Reaction of an N4O-Ligated Mononuclear Zinc Complex
Authors of publication	Ewa Szajna; Magdalena M. Makowska-Grzyska; Chad C. Wasden; Atta M. Arif; Lisa M. Berreau
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7595 - 7605
a	9.9232 ± 0.0002 Å
b	11.6281 ± 0.0002 Å
c	13.8553 ± 0.0002 Å
α	73.1948 ± 0.0011°
β	76.8339 ± 0.0011°
γ	88.5853 ± 0.0007°
Cell volume	1488.77 ± 0.05 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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	0.0747
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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