Crystallography Open Database

Information card for entry 1568594

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Coordinates	1568594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H168 Cl14 Mo6 O140
Calculated formula	C144 H168 Cl14 Mo6 O138
Title of publication	Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs
Authors of publication	Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.
Journal of publication	Inorganics
Year of publication	2023
Journal volume	11
Journal issue	2
Pages of publication	77
a	23.806 ± 0.001 Å
b	23.806 ± 0.001 Å
c	22.831 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	12938.9 ± 1 Å³
Cell temperature	200.15 K
Ambient diffraction temperature	200.15 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2134
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281630 (current)	2023-03-05	cif/ Adding structures of 1568593, 1568594, 1568595 via cif-deposit CGI script.	1568594.cif