Crystallography Open Database

Information card for entry 4329227

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Coordinates	4329227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C101 H152 N52 Ni13 O31
Calculated formula	C101 H116 N52 Ni13 O31
Title of publication	High Nuclearity in Azido/Oximate Chemistry: Ni14 and Ni13 Clusters with S = 6 and 9 Ground States
Authors of publication	Jordi Esteban; Laura Alcázar; Maria Torres-Molina; Montserrat Monfort; Mercè Font-Bardia; Albert Escuer
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	5503 - 5505
a	24.582 ± 0.013 Å
b	22.488 ± 0.008 Å
c	27.802 ± 0.01 Å
α	90°
β	91.96 ± 0.02°
γ	90°
Cell volume	15360 ± 11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1587
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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