Crystallography Open Database

Information card for entry 7710396

Preview

Coordinates	7710396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 F6 N4 O6 Re2
Calculated formula	C44 H36 F6 N4 O6 Re2
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	20.9702 ± 0.0002 Å
b	11.4817 ± 0.0001 Å
c	16.7301 ± 0.0001 Å
α	90°
β	101.432 ± 0.001°
γ	90°
Cell volume	3948.25 ± 0.06 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	0.0263
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0587
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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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