Crystallography Open Database

Information card for entry 7002607

Preview

Coordinates	7002607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H122 Cl6 N12 Ni6 O24
Calculated formula	C40.9999 H97.9998 Cl5.9998 N12 Ni6 O24
Title of publication	A novel tridentate coordination mode for the carbonatonickel system exhibited in an unusual hexanuclear nickel(ii) μ3-carbonato-bridged complex
Authors of publication	Anderson, James C.; Blake, Alexander J.; Moreno, Rafael Bou; Raynel, Guillaume; van Slageren, Joris
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	42
Pages of publication	9153
a	26.1334 ± 0.0002 Å
b	26.1334 ± 0.0002 Å
c	26.1334 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	17847.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	218
Hermann-Mauguin space group symbol	P -4 3 n
Hall space group symbol	P -4n 2 3
Residual factor for all reflections	0.0353
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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