Crystallography Open Database

Information card for entry 7223309

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Coordinates	7223309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 N30 Na O16 Zn4
Calculated formula	C60 H56 N30 O16 Zn4
Title of publication	Synthesis, X-ray characterization, DFT calculations and Hirshfeld surface analysis studies of carbohydrazone based on Zn(ii) complexes
Authors of publication	Mahmoudi, Ghodrat; Bauzá, Antonio; Rodríguez-Diéguez, Antonio; Garczarek, Piotr; Kaminsky, Werner; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	1
Pages of publication	102
a	13.9941 ± 0.0009 Å
b	13.9941 ± 0.0009 Å
c	35.739 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6998.9 ± 0.9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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