Crystallography Open Database

Information card for entry 4069990

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Coordinates	4069990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 F3 N O Ru
Calculated formula	C33 H36 F3 N O Ru
Title of publication	An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes
Authors of publication	Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	18
Pages of publication	5575
a	12.4807 ± 0.0002 Å
b	12.1327 ± 0.0002 Å
c	19.5307 ± 0.0004 Å
α	90°
β	105.053 ± 0.002°
γ	90°
Cell volume	2855.95 ± 0.09 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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