Crystallography Open Database

Information card for entry 7051370

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Coordinates	7051370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 F12 N8 O P2 Ru
Calculated formula	C44 H30 F12 N8 O P2 Ru
Title of publication	Metal-assisted electrocyclic reaction in a CN‒NC‒CN system
Authors of publication	Pal, Pankaj K.; Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	12
Pages of publication	931
a	13.785 ± 0.015 Å
b	16.86 ± 0.019 Å
c	20.91 ± 0.02 Å
α	90°
β	102.037 ± 0.01°
γ	90°
Cell volume	4753 ± 9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2252
Residual factor for significantly intense reflections	0.1137
Weighted residual factors for significantly intense reflections	0.2809
Weighted residual factors for all reflections included in the refinement	0.3301
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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