Crystallography Open Database

Information card for entry 4326440

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Coordinates	4326440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H31 F12 N4 O4 Pd2
Calculated formula	C43 H31 F12 N4 O4 Pd2
Title of publication	Redox-Active Bridging Ligands Based on Indigo Diimine ("Nindigo") Derivatives
Authors of publication	Graeme Nawn; Kate M. Waldie; Simon R. Oakley; Brendan D. Peters; Derek Mandel; Brian O. Patrick; Robert McDonald; Robin G. Hicks
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9826 - 9837
a	11.2026 ± 0.001 Å
b	13.2615 ± 0.0012 Å
c	13.8826 ± 0.0012 Å
α	90.508 ± 0.005°
β	92.453 ± 0.005°
γ	92.795 ± 0.005°
Cell volume	2058 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0734
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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