Crystallography Open Database

Information card for entry 2011115

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Structure parameters

Chemical name	tetraallyl (2,2'-bipyridyl)-rac-3,3,7,7-tetramethyl-trans-5-palladatricyclo [4.1.0.0^2,4^]heptane-1,2,4,6-tetracarboxylate
Formula	C36 H40 N2 O8 Pd
Calculated formula	C36 H40 N2 O8 Pd
Title of publication	Tetraallyl (2,2'-bipyridyl)-<i>rac</i>-3,3,7,7-tetramethyl-<i>trans</i>-5-palladatricyclo[4.1.0.0^2,^^4^]heptane-1,2,4,6-tetracarboxylate above and below the phase-transition temperature of 194K
Authors of publication	Bats, Jan W.; Rivas Nass, Andreas; Hashmi, A. Stephen K.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	7
Pages of publication	814 - 817
a	8.9583 ± 0.0008 Å
b	11.3245 ± 0.0018 Å
c	17.906 ± 0.003 Å
α	83.438 ± 0.016°
β	88.482 ± 0.014°
γ	72.118 ± 0.016°
Cell volume	1717.4 ± 0.5 Å³
Cell temperature	205 ± 2 K
Ambient diffraction temperature	205 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.306
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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