Crystallography Open Database

Information card for entry 7705731

Preview

Coordinates	7705731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H64 Bi6 I22 N4 O8
Calculated formula	C36 H64 Bi6 I22 N4 O8
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	19.4579 ± 0.0008 Å
b	19.9643 ± 0.0006 Å
c	12.4327 ± 0.0005 Å
α	90°
β	107.255 ± 0.003°
γ	90°
Cell volume	4612.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0471
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258731 (current)	2020-11-04	cif/ Adding structures of 7705727, 7705728, 7705729, 7705730, 7705731, 7705732, 7705733, 7705734 via cif-deposit CGI script.	7705731.cif