Crystallography Open Database

Information card for entry 4329228

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Coordinates	4329228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H135 Cl4 N48 Ni14 O36.5
Calculated formula	C95 H96 Cl4 N48 Ni14 O36.54
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	16.2274 ± 0.0014 Å
b	16.7091 ± 0.0016 Å
c	19.2008 ± 0.0018 Å
α	108.409 ± 0.005°
β	92.219 ± 0.005°
γ	115.014 ± 0.004°
Cell volume	4385.7 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0703
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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