Crystallography Open Database

Information card for entry 4305003

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Coordinates	4305003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H74 N30 Ni6 O16
Calculated formula	C52 H58 N30 Ni6 O16
Title of publication	Self-Assembly of an Azido-Bridged [NiII6] Cluster Featuring Four Fused Defective Cubanes
Authors of publication	Debashree Mandal; Valerio Bertolasi; Jordi Ribas-Ariño; Guillem Aromí; Debashis Ray
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3465 - 3467
a	14.9272 ± 0.0002 Å
b	13.4717 ± 0.0002 Å
c	17.3886 ± 0.0003 Å
α	90°
β	93.5839 ± 0.0008°
γ	90°
Cell volume	3489.92 ± 0.09 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0709
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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