Crystallography Open Database

Information card for entry 2012735

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Structure parameters

Chemical name	(η^5^-[2](4,7)indeno[2]paracyclophanyl)(η^5^-pentamethylcyclopentadienyl) ruthenium(II)
Formula	C29 H32 Ru
Calculated formula	C29 H32 Ru
SMILES	[Ru]([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([cH]12)([cH]13)([cH]21)([c]12c(ccc14)CCc(cc6)ccc6CC4)[c]123
Title of publication	Three ruthenocene derivatives: (η^5^-4,7-dimethylindenyl)(η^5^-pentamethylcyclopentadienyl)ruthenium(II), [η^5^-[2](4,7)indeno[2]paracyclophanyl](η^5^-pentamethylcyclopentadienyl)ruthenium(II) and bis[η^5^-[2](4,7)indeno[2]paracyclophanyl]ruthenium(II)
Authors of publication	Jones, Peter G.; Hartig, Thorsten; Hopf, Henning
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	6
Pages of publication	m347 - m350
a	11.648 ± 0.002 Å
b	14.757 ± 0.003 Å
c	13.798 ± 0.003 Å
α	90°
β	103.134 ± 0.015°
γ	90°
Cell volume	2309.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.029
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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