Crystallography Open Database

Information card for entry 7710394

Preview

Coordinates	7710394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 F6 N3 P Re
Calculated formula	C22 H19 F6 N3 P Re
Title of publication	An Isoindoline Bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-Arenophane and its Dinuclear Macrocycles with Axial Chirality
Authors of publication	Alberto, Roger; Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.617 ± 0.0001 Å
b	31.5018 ± 0.0003 Å
c	8.5825 ± 0.0001 Å
α	90°
β	97.132 ± 0.001°
γ	90°
Cell volume	2043.43 ± 0.04 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0185
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.183
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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