Crystallography Open Database

Information card for entry 7041904

7041903 << 7041904 >> 7041905

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Coordinates	7041904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H8 F6 Mg O8
Calculated formula	C4 H8 F6 Mg O8
SMILES	[Mg]([OH2])([OH2])([OH2])([OH2])(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
Title of publication	Synthesis of bimetallic trifluoroacetates through a crystallochemical investigation of their monometallic counterparts: the case of (A, A')(CF3COO)2·nH2O (A, A' = Mg, Ca, Sr, Ba, Mn).
Authors of publication	Dulani Dhanapala, B.; Mannino, Natalie A.; Mendoza, Laura M.; Tauni Dissanayake, K.; Martin, Philip D.; Suescun, Leopoldo; Rabuffetti, Federico A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	5
Pages of publication	1420 - 1430
a	8.0985 ± 0.0009 Å
b	9.0458 ± 0.0011 Å
c	9.3604 ± 0.0011 Å
α	88.324 ± 0.006°
β	65.021 ± 0.005°
γ	71.131 ± 0.006°
Cell volume	583.55 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191173 (current)	2017-02-01	cif/ Adding structures of 7041904, 7041905, 7041906, 7041907, 7041908, 7041909, 7041910, 7041911, 7041912 via cif-deposit CGI script.	7041904.cif