Crystallography Open Database

Information card for entry 7702239

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Coordinates	7702239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H108 Cl4 Cr2 Fe5 N12 O37
Calculated formula	C72 H72 Cl4 Cr1.9998 Fe5.0002 N12 O28
Title of publication	Cages on a plane: a structural matrix for molecular 'sheets'.
Authors of publication	Fraser, Hector W. L.; Nichol, Gary S.; Baldansuren, Amgalanbaatar; McInnes, Eric J. L.; Brechin, Euan K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15530 - 15537
a	14.6087 ± 0.0003 Å
b	14.6087 ± 0.0003 Å
c	37.9381 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	7011.8 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0712
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.2197
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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