Crystallography Open Database

Information card for entry 7719672

7719671 << 7719672 >> 7719673

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Coordinates	7719672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N7 V
Calculated formula	C36 H48 N7 V
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	10.5749 ± 0.0009 Å
b	20.9201 ± 0.0015 Å
c	14.2707 ± 0.0011 Å
α	90°
β	95.455 ± 0.004°
γ	90°
Cell volume	3142.8 ± 0.4 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0984
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7719672.cif