Crystallography Open Database

Information card for entry 7032067

7032066 << 7032067 >> 7032068

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Structure parameters

Formula	C30 H30 F12 N6 P2 Ru
Calculated formula	C30 H30 F12 N6 P2 Ru
SMILES	Cc1ccc(cc1)[N]1=Cc2cccc[n]2[Ru]21([n]1c(C=[N]2c2ccc(C)cc2)cccc1)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Isomerization initiated by photoinduced ligand dissociation in Ru(ii) complexes with the ligand 2-p-tolylpyridinecarboxaldimine.
Authors of publication	Albani, Bryan A.; Durr, Christopher B.; Peña, Bruno; Dunbar, Kim R.; Turro, Claudia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	47
Pages of publication	17828 - 17837
a	10.9107 ± 0.0003 Å
b	15.4227 ± 0.0004 Å
c	23.2585 ± 0.0006 Å
α	103.492 ± 0.001°
β	102.447 ± 0.001°
γ	98.567 ± 0.001°
Cell volume	3633.56 ± 0.17 Å³
Cell temperature	152 ± 2 K
Ambient diffraction temperature	152 ± 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	0.0811
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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