Crystallography Open Database

Information card for entry 7133140

Preview

Coordinates	7133140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H140 Cr2 K2 N8 O5
Calculated formula	C102 H140 Cr2 K2 N8 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	41.8744 ± 0.0003 Å
b	41.8744 ± 0.0003 Å
c	15.4776 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	23503.4 ± 0.3 Å³
Cell temperature	102.6 ± 0.5 K
Ambient diffraction temperature	102.6 ± 0.5 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.2045
Weighted residual factors for all reflections included in the refinement	0.2192
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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