Crystallography Open Database

Information card for entry 7705732

Preview

Coordinates	7705732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16.8 Bi3 Cu1.2 I12 N3
Calculated formula	C15 H16.8 Bi3 Cu1.2 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	9.9152 ± 0.0005 Å
b	10.0648 ± 0.0005 Å
c	11.4957 ± 0.0006 Å
α	64.871 ± 0.001°
β	78.306 ± 0.002°
γ	85.68 ± 0.002°
Cell volume	1017 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0539
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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