Crystallography Open Database

Information card for entry 7133660

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Coordinates	7133660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 Cl8 P2 Re
Calculated formula	C54 H42 Cl8 P2 Re
Title of publication	Oxidation-induced coupling reactions of bi(metallacycloprop-1-ene) complexes.
Authors of publication	Tsang, Long Yiu; Kong, Lam Cheung; Sung, Herman H. Y.; Williams, Ian D.; Jia, Guochen
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	78
Pages of publication	10946 - 10949
a	12.0537 ± 0.0003 Å
b	23.1354 ± 0.0005 Å
c	20.0755 ± 0.0003 Å
α	90°
β	102.929 ± 0.002°
γ	90°
Cell volume	5456.5 ± 0.2 Å³
Cell temperature	172.99 ± 0.1 K
Ambient diffraction temperature	172.99 ± 0.1 K
Number of distinct elements	5
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	0.0363
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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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