Crystallography Open Database

Information card for entry 1554166

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Coordinates	1554166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H76.4 Mn6 N8 O27.2 Si2
Calculated formula	C68 H76.4 Mn6 N8 O27.2 Si2
Title of publication	Oxime-Bridged Mn6 Clusters Inserted in One-Dimensional Coordination Polymer
Authors of publication	Zaltariov, Mirela-Fernanda; Cazacu, Maria; Sacarescu, Liviu; Vlad, Angelica; Novitchi, Ghenadie; Train, Cyrille; Shova, Sergiu; Arion, Vladimir B.
Journal of publication	Macromolecules
Year of publication	2016
Journal volume	49
Journal issue	17
Pages of publication	6163
a	19.029 ± 0.005 Å
b	25.005 ± 0.005 Å
c	19.75 Å
α	90°
β	105.62°
γ	90°
Cell volume	9050 ± 3 Å³
Cell temperature	244 ± 60 K
Ambient diffraction temperature	244 ± 60 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2381
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2343
Weighted residual factors for all reflections included in the refinement	0.3069
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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