Crystallography Open Database

Information card for entry 7133137

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Coordinates	7133137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H92 Cr Li N4 O5
Calculated formula	C61 H92 Cr Li N4 O5
Title of publication	Reduction of (pddi)Cr reveals redox noninnocence via C-C bond formation amidst competing electrophilicity: [(cpta)CrMen]- (n = 0, 1) and [(pta)Cr]-
Authors of publication	D'Arpino, Alexander A; MacMillan, Samantha N.; Wolczanski, Peter T.; Cundari, Thomas R.; Krumov, Mihail R.
Journal of publication	Chemical Communications
Year of publication	2024
a	12.3655 ± 0.0001 Å
b	14.1523 ± 0.0002 Å
c	19.2237 ± 0.0003 Å
α	69.523 ± 0.001°
β	76.232 ± 0.001°
γ	65.51 ± 0.001°
Cell volume	2850.94 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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