Crystallography Open Database

Information card for entry 4302014

4302013 << 4302014 >> 4302015

Preview

Coordinates	4302014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H163 Er3 Mn2 N6 O26
Calculated formula	C82 H160.5 Er3 Mn2 N6 O26
Title of publication	Family of Heterometallic Semicircular MnIII2LnIII3 Strands
Authors of publication	Muhammad Nadeem Akhtar; Yan-Zhen Zheng; Yanhua Lan; Valeriu Mereacre; Christopher E. Anson; Annie K. Powell
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3502 - 3504
a	17.2846 ± 0.0004 Å
b	29.7522 ± 0.0007 Å
c	20.5363 ± 0.0005 Å
α	90°
β	100.764 ± 0.001°
γ	90°
Cell volume	10375.1 ± 0.4 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	0.0619
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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