Crystallography Open Database

Information card for entry 4505941

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Coordinates	4505941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H73 N19 Ni2 O17
Calculated formula	C47 H73 N19 Ni2 O17
Title of publication	Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions
Authors of publication	Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	1952
a	10.1334 ± 0.0012 Å
b	13.8385 ± 0.0006 Å
c	13.9286 ± 0.0006 Å
α	115.96 ± 0.004°
β	95.722 ± 0.005°
γ	103.508 ± 0.005°
Cell volume	1661.4 ± 0.2 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2351
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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