Crystallography Open Database

Information card for entry 2021279

2021278 << 2021279 >> 2021280

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Structure parameters

Formula	C71 H150 Al Cl Mo6 N5 O36
Calculated formula	C71 H150 Al Cl Mo6 N5 O36
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	21.8904 ± 0.0006 Å
b	23.9848 ± 0.0006 Å
c	37.719 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	19803.9 ± 0.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
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	0.0367
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	2021279.cif 2021279.hkl