Crystallography Open Database

Information card for entry 4318429

Preview

Coordinates	4318429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.6 H45.4 Cl2 N13.4 O8.8 Zn4
Calculated formula	C49.6 H32 Cl2 N13.4 O8.8 Zn4
Title of publication	From Monomer Zinc-Oxamato Complexes to Tetranuclear Inverse 12-Membered and Octanuclear 12-Membered Metallacrowns
Authors of publication	Maria Alexiou; Catherine Dendrinou-Samara; Catherine P. Raptopoulou; Aris Terzis; Dimitris P. Kessissoglou
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4732 - 4738
a	11.826 ± 0.005 Å
b	17.739 ± 0.006 Å
c	15.68 ± 0.005 Å
α	90°
β	91.62 ± 0.01°
γ	90°
Cell volume	3288 ± 2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0584
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for all reflections	0.157
Weighted residual factors for significantly intense reflections	0.144
Goodness-of-fit parameter for all reflections	0.985
Goodness-of-fit parameter for significantly intense reflections	0.973
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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