Crystallography Open Database

Information card for entry 7716989

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Coordinates	7716989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H32 I8 K2 Mo6 O19
Calculated formula	I8 K2 Mo6 O19
Title of publication	Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands
Authors of publication	Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia; Shestopalov, Michael A.; Ivanov, Anton A.
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.6328 ± 0.0004 Å
b	11.7341 ± 0.0005 Å
c	15.902 ± 0.0007 Å
α	88.59 ± 0.002°
β	86.932 ± 0.002°
γ	88.658 ± 0.002°
Cell volume	1793.88 ± 0.13 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0681
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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