Crystallography Open Database

Information card for entry 7030302

Preview

Coordinates	7030302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H7 Cl F12 O2 P2 Ru
Calculated formula	C14 H7 Cl F12 O2 P2 Ru
SMILES	[Ru]12(Cl)([P](Cc3c2c(ccc3)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C#[O])C#[O]
Title of publication	Acceptor pincer Ru(II) chemistry.
Authors of publication	Adams, Jeramie J.; Gruver, Brian C.; Donohoue, Rose; Arulsamy, Navamoney; Roddick, Dean M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	40
Pages of publication	12601 - 12611
a	7.8669 ± 0.0003 Å
b	18.9807 ± 0.0006 Å
c	26.845 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4008.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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