Crystallography Open Database

Information card for entry 7041908

7041907 << 7041908 >> 7041909

Preview

Coordinates	7041908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Ca1.72 F18 Mn1.28 O16
Calculated formula	C12 H8 Ca1.712 F18 Mn1.288 O16
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	9.0523 ± 0.0005 Å
b	9.1619 ± 0.0005 Å
c	16.3326 ± 0.001 Å
α	90°
β	92.621 ± 0.003°
γ	90°
Cell volume	1353.15 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1128
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7041908.cif