Crystallography Open Database

Information card for entry 7717030

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Coordinates	7717030.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CaBetTfN_2
Formula	C19 H33 Ca F12 N5 O14 S4
Calculated formula	C19 H33 Ca F12 N5 O14 S4
Title of publication	Synthesis and Characterization of divalent metal-betaine- bistriflimide complexes: a property comparison with metal bistriflimide salts
Authors of publication	Guglielmero, Luca; Ciccone, Lidia; Mezzetta, Andrea; D'Andrea, Felicia; Guazzelli, Lorenzo; Pomelli, Christian Silvio Silvio
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.0322 ± 0.0002 Å
b	15.1177 ± 0.0004 Å
c	15.2478 ± 0.0004 Å
α	105.427 ± 0.001°
β	105.078 ± 0.001°
γ	101.074 ± 0.001°
Cell volume	1860 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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