Crystallography Open Database

Information card for entry 1564921

Preview

Coordinates	1564921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H24 Al2 As2.07 Bi1.93 Cl28 F48 Mo4 O16
Calculated formula	C62 H24 Al2 As2.07 Bi1.93 Cl28 F48 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	13.3028 ± 0.0002 Å
b	27.6708 ± 0.0004 Å
c	14.6789 ± 0.0003 Å
α	90°
β	96.234 ± 0.002°
γ	90°
Cell volume	5371.34 ± 0.16 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	1564921.cif