Crystallography Open Database

Information card for entry 1508422

Preview

Coordinates	1508422.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 Bi I5 O5
Calculated formula	C14 H20 Bi I5 O5
SMILES	C1C[O]2CC[O]3CC[O]4CC[O]5c6ccccc6[O]1[Bi]2345(I)(I)I.II
Title of publication	(B15c5)BiI3(I2): Molecular Benzo-15-Crown-5‒BiI3 Complexes Bridged by Iodine Molecules to Chains
Authors of publication	Fiolka, Christoph; Richter, Mark; Pantenburg, Ingo; Mudring, Anja-Verena; Meyer, Gerd
Journal of publication	Crystals
Year of publication	2012
Journal volume	1
Journal issue	4
Pages of publication	220 - 228
a	13.7685 ± 0.001 Å
b	11.7274 ± 0.0012 Å
c	17.0023 ± 0.0017 Å
α	90°
β	115.197 ± 0.006°
γ	90°
Cell volume	2484.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0637
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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