Crystallography Open Database

Information card for entry 7035486

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Coordinates	7035486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H84 Co12 N30 O31
Calculated formula	C49 H84 Co12 N29.9994 O31.0002
Title of publication	A new cube-based dodecanuclear cobalt(ii) cluster with azide and tetrazolate ligands exhibiting ferromagnetic ordering.
Authors of publication	Zhang, Xiu-Mei; Li, Peng; Gao, Wei; Liu, Jie-Ping; Gao, En-Qing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13581 - 13585
a	17.1591 ± 0.0015 Å
b	17.1591 ± 0.0015 Å
c	24.633 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	6281.1 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1253
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.24
Weighted residual factors for all reflections included in the refinement	0.2678
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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