Crystallography Open Database

Information card for entry 7719670

7719669 << 7719670 >> 7719671

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Coordinates	7719670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cr N7
Calculated formula	C36 H48 Cr N7
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	10.5541 ± 0.0004 Å
b	20.8052 ± 0.0007 Å
c	14.3671 ± 0.0006 Å
α	90°
β	95.52 ± 0.002°
γ	90°
Cell volume	3140.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0541
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.167
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.	7719670.cif