Crystallography Open Database

Information card for entry 7026933

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Coordinates	7026933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H103.5 Cl4 Mn2 N8 O21.75
Calculated formula	C104 H102 Cl4 Mn2 N8 O21.75
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	18.81287 ± 0.00015 Å
b	22.75489 ± 0.00019 Å
c	23.7655 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	10173.7 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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