Crystallography Open Database

Information card for entry 4113026

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Coordinates	4113026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H100 P Pd Si6
Calculated formula	C49 H93 P Pd Si6
Title of publication	14-Electron Disilene Palladium Complex Having Strong π-Complex Character
Authors of publication	Mitsuo Kira; Yumiko Sekiguchi; Takeaki Iwamoto; Chizuko Kabuto
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12778 - 12779
a	12.0473 ± 0.0002 Å
b	12.7355 ± 0.0004 Å
c	20.3952 ± 0.0001 Å
α	76.653 ± 0.008°
β	71.024 ± 0.007°
γ	85.812 ± 0.009°
Cell volume	2879.21 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.062
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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