Crystallography Open Database

Information card for entry 2021278

2021277 << 2021278 >> 2021279

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Structure parameters

Formula	C73 H152.95 Al Mo6 N5 O32.73
Calculated formula	C73 H152.952 Al Mo6 N5 O32.726
Title of publication	Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid
Authors of publication	Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	11
a	16.1062 ± 0.0017 Å
b	26.512 ± 0.003 Å
c	45.569 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	19458 ± 4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.238
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211614 (current)	2018-10-25	cif/ hkl/ Adding structures of 2021278, 2021279 via cif-deposit CGI script.	2021278.cif 2021278.hkl