Crystallography Open Database

Information card for entry 3000320

Preview

No preview available: structure is on hold until 2022-01-01

Coordinates	Coordinates are not available: structure is on hold until 2022-01-01

Structure parameters

Formula	C32 H93.5 Mn4 N22 O53.25 S12
Authors of publication	Moneo Corcuera, Andrea; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Breogan Pato Doldan; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Sanchez Molina, Irene; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Nieto Castro, David; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.; Galan Mascaros, Jose Ramon; of; Research; Catalonia; The; Institute; Science; Technology; Av.; Catalans; Spain.
Journal of publication	To be published in Molecules
a	14.3637 ± 0.0002 Å
b	15.5125 ± 0.0002 Å
c	21.5806 ± 0.0003 Å
α	80.049 ± 0.001°
β	85.723 ± 0.001°
γ	87.399 ± 0.001°
Cell volume	4720.41 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.248
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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