Crystallography Open Database

Information card for entry 1564923

Preview

Coordinates	1564923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60.1 H19.2 Al2 As2.12 Bi1.88 Cl0.2 F72 Mo4 O16
Calculated formula	C60.1 H19.2 Al2 As2.12 Bi1.88 Cl0.2 F72 Mo4 O16
Title of publication	Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals
Authors of publication	Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred
Journal of publication	Chemical Science
Year of publication	2021
a	14.91 ± 0.0003 Å
b	15.9359 ± 0.0006 Å
c	20.4158 ± 0.0007 Å
α	80.965 ± 0.003°
β	82.393 ± 0.002°
γ	75.244 ± 0.002°
Cell volume	4611 ± 0.3 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269952 (current)	2021-10-15	cif/ Adding structures of 1564920, 1564921, 1564922, 1564923, 1564924, 1564925 via cif-deposit CGI script.	1564923.cif