Crystallography Open Database

Information card for entry 7719671

7719670 << 7719671 >> 7719672

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Coordinates	7719671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H58 N7 O Ti
Calculated formula	C40 H58 N7 O Ti
Title of publication	Exploring early transition metal coordination: a synthetic and computational study of tripodal ligand complexes.
Authors of publication	Moore, Jewelianna M.; Vaught, Brennan M.; Miller, Tabitha J.; Nunn, George; Elford, Lindsey S.; Gullett, Kelly L.; Walton, Paul H.; Fout, Alison R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
a	9.0932 ± 0.0002 Å
b	19.1304 ± 0.0004 Å
c	21.7114 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3776.84 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
302957 (current)	2025-10-18	cif/ Adding structures of 7719670, 7719671, 7719672, 7719673 via cif-deposit CGI script.	7719671.cif