Crystallography Open Database

Information card for entry 7712151

Preview

Coordinates	7712151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44.5 H40.5 B2 F8 N3 O2 Pd3
Calculated formula	C44.5 H40.5 B2 F8 N3 O2 Pd3
Title of publication	Di- and trinuclear sandwich complexes of a cross-conjugated fulvene.
Authors of publication	Kudo, Eiji; Oba, Yuki; Yamamoto, Koji; Murahashi, Tetsuro
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	6
Pages of publication	1568 - 1573
a	13.6501 ± 0.0007 Å
b	13.9198 ± 0.0007 Å
c	14.6715 ± 0.0006 Å
α	116.09 ± 0.004°
β	97.842 ± 0.003°
γ	110.614 ± 0.0015°
Cell volume	2198.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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