Crystallography Open Database

Information card for entry 4326444

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Coordinates	4326444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 F6 N4 O2 Pd
Calculated formula	C45 H44 F6 N4 O2 Pd
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	12.4188 ± 0.0004 Å
b	13.3663 ± 0.0004 Å
c	13.528 ± 0.0004 Å
α	66.8664 ± 0.0003°
β	78.7331 ± 0.0004°
γ	83.0717 ± 0.0004°
Cell volume	2022.8 ± 0.11 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	0.0335
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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