Crystallography Open Database

Information card for entry 4116379

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Coordinates	4116379.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[( 3-(Bis(diphenylmethylphosphine)palldium)-tetrabismuth][Dibromo- diphenyl bismuth]
Formula	C128 H124 Bi6 Br4 P8 Pd4
Calculated formula	C128 H124 Bi6 Br4 P8 Pd4
Title of publication	Different Ways To Distort a Tetracapped Tetrahedron on Route to Forming an E4M4 Cubane: The Case of [E4(Pd(PPh2Me)2)4][Ph2EX2]2 (E = Sb, X = Cl; E = Bi, X = Br)
Authors of publication	Joseph L. Stark; Brian Harms; Ilse Guzman-Jimenez; Kenton H. Whitmire; Régis Gautier; Jean-François Halet; Jean-Yves Saillard
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	4409 - 4418
a	14.395 ± 0.003 Å
b	14.974 ± 0.003 Å
c	32.363 ± 0.007 Å
α	84.75 ± 0.03°
β	77.78 ± 0.03°
γ	85.59 ± 0.03°
Cell volume	6777 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.055
Weighted residual factors for all reflections	0.1658
Weighted residual factors for significantly intense reflections	0.1358
Goodness-of-fit parameter for all reflections	1.039
Goodness-of-fit parameter for significantly intense reflections	1.121
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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