Crystallography Open Database

Information card for entry 4114546

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Coordinates	4114546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4
Calculated formula	C56 H100 B2 Cl6 F8 Ir2 N2 O4 P4
Title of publication	Metal-Stabilized Phenoxonium Cation
Authors of publication	Arkadi Vigalok; Boris Rybtchinski; Yael Gozin; Tehila S. Koblenz; Yehoshoa Ben-David; Haim Rozenberg; David Milstein
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	15692 - 15693
a	24.726 ± 0.005 Å
b	11.706 ± 0.002 Å
c	26.129 ± 0.005 Å
α	90°
β	106.53 ± 0.03°
γ	90°
Cell volume	7250 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0613
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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