Crystallography Open Database

Information card for entry 7717042

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Coordinates	7717042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H102 Cl6 Fe Mo6 N18 O48 Ti
Calculated formula	C36 H102 Cl6 Fe Mo6 N18 O48 Ti
Title of publication	Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti–Mo and Zr–Mo clusters via hydrogen-bonding interactions
Authors of publication	Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, Sugiarto; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito
Journal of publication	Dalton Transactions
Year of publication	2024
a	21.6648 ± 0.0004 Å
b	21.6648 ± 0.0004 Å
c	14.6787 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	5966.6 ± 0.2 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	8
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	0.822
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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