Crystallography Open Database

Information card for entry 7053310

Preview

Coordinates	7053310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H34 Mn N4 O12 S
Calculated formula	C27 H32 Mn N4 O12 S
Title of publication	Supramolecular assembly under the control of the chelating ligand for the MnII/bridging ligands/3-sulfobenzoate system and catalytic properties for the disproportionation of hydrogen peroxide
Authors of publication	Miao, Xiao-He; Zhu, Long-Guan
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	11
Pages of publication	2403
a	20.51 ± 0.002 Å
b	7.0178 ± 0.0008 Å
c	23.495 ± 0.003 Å
α	90°
β	112.446 ± 0.001°
γ	90°
Cell volume	3125.6 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0898
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1836
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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