Crystallography Open Database

Information card for entry 4505937

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Coordinates	4505937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 B3 F12 N10 Pd3
Calculated formula	C36 H43 B3 F12 N10 Pd3
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	11.949 ± 0.003 Å
b	26.138 ± 0.006 Å
c	16.17 ± 0.003 Å
α	90°
β	102.883 ± 0.012°
γ	90°
Cell volume	4923.1 ± 1.9 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	6
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	0.0984
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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