Crystallography Open Database

Information card for entry 4114823

Preview

Coordinates	4114823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75.5 H158 As16 K4 N11.5 O24 Pd7
Calculated formula	C75.5 H158 As16 K4 N11.5 O24 Pd7
Title of publication	Charged Molecular Alloys: Synthesis and Characterization of the Binary Anions Pd7As164- and Pd2As144-
Authors of publication	Melanie J. Moses; James Fettinger; Bryan Eichhorn
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5944 - 5945
a	17.2784 ± 0.0009 Å
b	27.2637 ± 0.0015 Å
c	28.9377 ± 0.0016 Å
α	113.436 ± 0.001°
β	99.289 ± 0.001°
γ	99.656 ± 0.001°
Cell volume	11931.4 ± 1.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.118
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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