Crystallography Open Database

Information card for entry 3000319

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	C36 H99.8 N24 Ni3 O46.9 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	14.2019 ± 0.0018 Å
b	15.2274 ± 0.0017 Å
c	21.239 ± 0.002 Å
α	81.612 ± 0.004°
β	85.261 ± 0.004°
γ	83.593 ± 0.004°
Cell volume	4505.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2088
Residual factor for significantly intense reflections	0.0907
Weighted residual factors for significantly intense reflections	0.234
Weighted residual factors for all reflections included in the refinement	0.3065
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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