Crystallography Open Database

Information card for entry 7005709

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Coordinates	7005709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H66 Cl3 N9 Ni4 O24
Calculated formula	C30 H50 Cl3 N9 Ni4 O24
Title of publication	A ketone oximate based cyclic cationic [Ni(II)4] inverse metallacrown from simultaneous chelation and bridging of two ligands.
Authors of publication	Mandal, Debashree; Bertolasi, Valerio; Aromí, Guillem; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	20
Pages of publication	1989 - 1992
a	14.9193 ± 0.0003 Å
b	24.7954 ± 0.0006 Å
c	14.0215 ± 0.0002 Å
α	90°
β	97.15 ± 0.002°
γ	90°
Cell volume	5146.64 ± 0.18 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
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	0.0782
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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