Crystallography Open Database

Information card for entry 1572537

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Coordinates	1572537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H98 B N4 O2 Y2
Calculated formula	C74 H98 B N4 O2 Y2
Title of publication	Stabilizing an exotic dianionic tetrazine bridge in a Ln2 metallocene
Authors of publication	Mavragani, Niki; Kitos, Alexandros; Mansikkamäki, Akseli; Murugesu, Muralee
Journal of publication	Chemical Science
Year of publication	2024
a	15.2944 ± 0.0004 Å
b	20.2938 ± 0.0006 Å
c	25.559 ± 0.0009 Å
α	90°
β	96.449 ± 0.002°
γ	90°
Cell volume	7882.8 ± 0.4 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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