Crystallography Open Database

Information card for entry 4077862

Preview

Coordinates	4077862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 As I
Calculated formula	C22 H16 As I
SMILES	I[As]1Cc2c(c3c(cc2)cccc3)c2c(C1)ccc1ccccc21
Title of publication	Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion
Authors of publication	Kilah, Nathan L.; Wild, S. Bruce
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2658
a	16.8728 ± 0.0005 Å
b	16.8728 ± 0.0005 Å
c	11.2567 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2775.34 ± 0.13 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for all reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0301
Goodness-of-fit parameter for all reflections included in the refinement	1.0007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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