Crystallography Open Database

Information card for entry 7135187

Preview

Coordinates	7135187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H65 Cl2 O5 P3 Re2
Calculated formula	C60 H65 Cl2 O5 P3 Re2
Title of publication	Synthesis and characterization of rhena-phenalenyl complexes.
Authors of publication	Li, Lei; Fu, Bingjie; Zhao, Yue; Sun, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	81
Pages of publication	15858 - 15861
a	12.2713 ± 0.0006 Å
b	15.3656 ± 0.0008 Å
c	30.0068 ± 0.0015 Å
α	90°
β	97.177 ± 0.002°
γ	90°
Cell volume	5613.6 ± 0.5 Å³
Cell temperature	149 K
Ambient diffraction temperature	149 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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