Crystallography Open Database

Information card for entry 7013128

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Coordinates	7013128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C169 H205 N27 Ni8 O37 Sr
Calculated formula	C169 H205 N27 Ni8 O37 Sr
Title of publication	Novel topologies in NiII cluster chemistry: Incorporation of alkaline-earth metals in the new [NiII6MgII2] and [NiII8MII](M = Sr, Ba) cages
Authors of publication	Guillem Aromí; Olivier Roubeau; Madeleine Helliwell; Simon J. Teat; Richard E. P. Winpenny
Journal of publication	Dalton Trans.
Year of publication	2003
Journal issue	17
Pages of publication	3436 - 3442
a	19.0435 ± 0.0007 Å
b	19.1516 ± 0.0007 Å
c	30.8891 ± 0.0012 Å
α	90.049 ± 0.001°
β	96.841 ± 0.001°
γ	119.034 ± 0.001°
Cell volume	9757.5 ± 0.6 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	0.0848
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1931
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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