Crystallography Open Database

Information card for entry 7705728

Preview

Coordinates	7705728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 Bi2 I9 N3 O4
Calculated formula	C23 H38 Bi2 I9 N3 O4
Title of publication	(HPy)<sub>2</sub>(Py)CuBi<sub>3</sub>I<sub>12</sub>, a low bandgap metal halide photoconductor.
Authors of publication	Möbs, Jakob; Gerhard, Marina; Heine, Johanna
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	41
Pages of publication	14397 - 14400
a	8.5623 ± 0.0006 Å
b	18.844 ± 0.001 Å
c	28.796 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4646.2 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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