Crystallography Open Database

Information card for entry 4000629

Preview

Coordinates	4000629.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 F30 N7 O20 Pr S10
Calculated formula	C28.21 H40 F30 N7 O20 Pr S10
SMILES	[Pr]1234(OS(=NS(=O)(=O)C(F)(F)F)(=O)C(F)(F)F)(OS(=NS(=[O]1)(=O)C(F)(F)F)(=O)C(F)(F)F)(OS(=NS(=[O]2)(=O)C(F)(F)F)(=O)C(F)(F)F)(OS(=O)(=NS(C(F)(F)F)(=[O]3)=O)C(F)(F)F)OS(=NS(=[O]4)(=O)C(F)(F)F)(C(F)(F)F)=O.[N+]1(CCCC1)(CCCC)C.[N+]1(CCCC1)(C)CCCC
Journal of publication	Chemistry of Materials
Year of publication	2005
a	12.3204 ± 0.0012 Å
b	12.4261 ± 0.0014 Å
c	22.64 ± 0.002 Å
α	94.44 ± 0.009°
β	102.632 ± 0.008°
γ	105.792 ± 0.008°
Cell volume	3219.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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