Crystallography Open Database

Information card for entry 4029690

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Coordinates	4029690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 Au F6 I N2
Calculated formula	C36 H22 Au F6 I N2
SMILES	[Au](I)=C1N(c2c(N1C)cccc2)c1ccc2ccccc2c1c1c2ccccc2ccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.
Authors of publication	Sun, Yin-Wei; Xu, Qin; Shi, Min
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2013
Journal volume	9
Pages of publication	2224 - 2232
a	7.6103 ± 0.0005 Å
b	12.6408 ± 0.0008 Å
c	34.029 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3273.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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