Crystallography Open Database

Information card for entry 4348934

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Coordinates	4348934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H78 Dy Mn4 N9 Na O32
Calculated formula	C71 H78 Dy Mn4 N9 Na O32
SMILES	[Dy]1234567[O]89[Mn]%10%11%12(OC%13=[N]9[Mn]9(Oc%14c%13cccc%14)([O]%131[Na]1%14%158([O]82[Mn]2(Oc%16c(C(O9)=[N]%132)cccc%16)(OC2=[N]8[Mn]8(Oc9c2cccc9)([O]31[N]%12=C(O8)c1ccccc1O%10)([O]=C(c1ccccc1O)O6)[OH2]%15)([O]=C(O5)c1ccccc1O)[OH2]%14)[OH2]%11)([O]=C(O4)c1ccccc1O)[O]=CN(C)C)[O]=C(O7)c1ccccc1O.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
Title of publication	The Nature of the Bridging Anion Controls the Single-Molecule Magnetic Properties of DyX<sub>4</sub>M 12-Metallacrown-4 Complexes.
Authors of publication	Boron, 3rd, Thaddeus T; Lutter, Jacob C.; Daly, Connor I.; Chow, Chun Y.; Davis, Andrew H.; Nimthong-Roldán, Arunpatcha; Zeller, Matthias; Kampf, Jeff W.; Zaleski, Curtis M.; Pecoraro, Vincent L.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	20
Pages of publication	10597 - 10607
a	23.492 ± 0.005 Å
b	24.27 ± 0.005 Å
c	14.322 ± 0.003 Å
α	90°
β	91.621 ± 0.004°
γ	90°
Cell volume	8162 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1408
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
233497 (current)	2019-11-23	cif/ Adding structures of 4348933, 4348934, 4348935, 4348936, 4348937 via cif-deposit CGI script.	4348934.cif