Crystallography Open Database

Information card for entry 4306631

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Coordinates	4306631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H43 Bi O5
Calculated formula	C46 H43 Bi O5
SMILES	[Bi]1(OC(C)(C)C)Oc2c3cccc2Cc2cccc(c2OCc2ccccc2)Cc2c(OCc4ccccc4)c(ccc2)Cc2c(O1)c(ccc2)C3
Title of publication	Synthesis and Characterization of Bismuth(III) and Antimony(III) Calixarene Complexes
Authors of publication	Lihua Liu; Lev N. Zakharov; James A. Golen; Arnold L. Rheingold; Tracy A. Hanna
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11143 - 11153
a	11.0005 ± 0.0006 Å
b	31.5851 ± 0.0018 Å
c	11.2779 ± 0.0006 Å
α	90°
β	112.417 ± 0.001°
γ	90°
Cell volume	3622.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0492
Weighted residual factors for all reflections included in the refinement	0.0498
Goodness-of-fit parameter for all reflections included in the refinement	0.789
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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