Crystallography Open Database

Information card for entry 4000641

Preview

Coordinates	4000641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 F18 Mg N2 O6
Calculated formula	C25 H27 F18 Mg N2 O6
SMILES	FC(C1=CC(=[O][Mg]23(O1)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F.CCN(CC[NH+](CC)CC)CC
Journal of publication	Chemistry of Materials
Year of publication	2005
a	12.17 ± 0.005 Å
b	15.244 ± 0.006 Å
c	19.126 ± 0.007 Å
α	90°
β	100.156 ± 0.006°
γ	90°
Cell volume	3493 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

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