Crystallography Open Database

Information card for entry 7026932

Preview

Coordinates	7026932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H99.5 Cl4 Mn2 N9.5 O18.5
Calculated formula	C98 H99.5 Cl4 Mn2 N9.5 O18.5
Title of publication	New binuclear double-stranded manganese helicates as catalysts for alkene epoxidation.
Authors of publication	Sham, Kiu-Chor; Yeung, Ho-Lun; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9469 - 9471
a	16.552 ± 0.0006 Å
b	12.3483 ± 0.0004 Å
c	25.6368 ± 0.0011 Å
α	90°
β	104.533 ± 0.004°
γ	90°
Cell volume	5072.2 ± 0.3 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2249
Weighted residual factors for all reflections included in the refinement	0.2375
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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