Crystallography Open Database

Information card for entry 4067478

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Coordinates	4067478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 Au Cl P2 Zr2
Calculated formula	C36 H50 Au Cl P2 Zr2
Title of publication	Ambiphilic Reactivity of a Phosphane-Functionalized Cycloheptatrienyl−Cyclopentadienyl Zirconium Sandwich Complex
Authors of publication	Büschel, Susanne; Daniliuc, Constantin; Jones, Peter G.; Tamm, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	3
Pages of publication	671
a	11.2225 ± 0.001 Å
b	11.2225 ± 0.001 Å
c	28.17 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3547.9 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0454
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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