Crystallography Open Database

Information card for entry 7243888

Preview

Coordinates	7243888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H93 Ag2 Mo8 N9 O27
Calculated formula	C45 H93 Ag2 Mo8 N9 O27
Title of publication	Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition
Authors of publication	Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	48
Pages of publication	8527 - 8537
a	12.9493 ± 0.0007 Å
b	16.7502 ± 0.0005 Å
c	18.016 ± 0.0009 Å
α	88.198 ± 0.001°
β	74.295 ± 0.001°
γ	68.962 ± 0.001°
Cell volume	3501.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1466
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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