Crystallography Open Database

Information card for entry 7716990

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Coordinates	7716990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 I8 K2 Mo6 N24
Calculated formula	C36 H42 I8 K2.0004 Mo6 N24
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	17.3571 ± 0.0003 Å
b	17.3571 ± 0.0003 Å
c	17.8314 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	4652.33 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0448
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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