Crystallography Open Database

Information card for entry 7045235

Preview

Coordinates	7045235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.6 H4.2 Mn1.2 O8.4 Ti0.6
Calculated formula	C3.6 H4.2 Mn1.2 O8.4 Ti0.6
Title of publication	Hydrogen bond-assisted homochiral lattice packing between inorganic helices built from heterometallic units.
Authors of publication	Chen, Shuai; Narayanam, Nagaraju; Zhang, Lei; Zhang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	7
Pages of publication	2134 - 2137
a	10.651 ± 0.0003 Å
b	10.651 ± 0.0003 Å
c	11.0943 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	1089.96 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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