Crystallography Open Database

Information card for entry 1568593

Preview

Coordinates	1568593.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H110 Cl42 Mo18 O97
Calculated formula	C96 H110 Cl42 Mo18 O97
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	17.8167 ± 0.0003 Å
b	17.9076 ± 0.0003 Å
c	19.7519 ± 0.0004 Å
α	116.936 ± 0.002°
β	116.807 ± 0.002°
γ	90.012 ± 0.001°
Cell volume	4846 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1486
Residual factor for significantly intense reflections	0.1443
Weighted residual factors for significantly intense reflections	0.3181
Weighted residual factors for all reflections included in the refinement	0.3202
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
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
281630 (current)	2023-03-05	cif/ Adding structures of 1568593, 1568594, 1568595 via cif-deposit CGI script.	1568593.cif