Crystallography Open Database

Information card for entry 7710099

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Coordinates	7710099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 F2 N2
Calculated formula	C19 H12 F2 N2
SMILES	C1(=C(C1(F)F)c1ccccc1)c1cnc(cc1)c1ncccc1
Title of publication	M-CPOnes: transition metal complexes with cyclopropenone-based ligands for light-triggered carbon monoxide release
Authors of publication	Lehr, Marc; Neumann, Tjorge; Näther, Christian; McConnell, Anna J.
Journal of publication	Dalton Transactions
Year of publication	2022
a	6.919 ± 0.0001 Å
b	8.1308 ± 0.0001 Å
c	13.4122 ± 0.0002 Å
α	82.284 ± 0.001°
β	84.268 ± 0.001°
γ	77.219 ± 0.001°
Cell volume	727.248 ± 0.018 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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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