Crystallography Open Database

Information card for entry 7710395

Preview

Coordinates	7710395.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 F6 N4 O5 Re2
Calculated formula	C44 H34 F6 N4 O5 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	15.3233 ± 0.0001 Å
b	16.7762 ± 0.0001 Å
c	15.1091 ± 0.0001 Å
α	90°
β	101.278 ± 0.001°
γ	90°
Cell volume	3809.05 ± 0.04 Å³
Cell temperature	160 ± 1 K
Ambient diffraction temperature	160 ± 1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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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