Crystallography Open Database

Information card for entry 7717045

Preview

Coordinates	7717045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H102 Cl6 Fe Mo6 N18 O48 Zr
Calculated formula	C36 H102 Cl6 Fe Mo6 N18 O48 Zr
Title of publication	Controlling the symmetry of hexamonodentate 3d-transition metal complexes through symmetry propagation from high-symmetry Ti-Mo and Zr-Mo clusters <i>via</i> hydrogen-bonding interactions.
Authors of publication	Mitsuhashi, Ryoji; Imai, Yuya; Sugiarto, ?; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	39
Pages of publication	16186 - 16194
a	21.8319 ± 0.0004 Å
b	21.8319 ± 0.0004 Å
c	14.7616 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6093.2 ± 0.2 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 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	0.0318
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296544 (current)	2024-12-06	cif/ Updating files of 7717042, 7717043, 7717044, 7717045, 7717046, 7717047, 7717048, 7717049 Original log message: Adding full bibliography for 7717042--7717049.cif.	7717045.cif
294810	2024-09-20	cif/ Adding structures of 7717042, 7717043, 7717044, 7717045, 7717046, 7717047, 7717048, 7717049 via cif-deposit CGI script.	7717045.cif