Crystallography Open Database

Information card for entry 7705734

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Coordinates	7705734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H17 Bi3 Cu I12 N3
Calculated formula	C15 H17 Bi3 Cu I12 N3
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	9.9874 ± 0.0006 Å
b	10.1149 ± 0.0006 Å
c	11.6385 ± 0.0007 Å
α	65.08 ± 0.002°
β	78.747 ± 0.002°
γ	86.282 ± 0.002°
Cell volume	1045.58 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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