Crystallography Open Database

Information card for entry 7716704

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Coordinates	7716704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.5 H27 Cl6 N O P Re
Calculated formula	C27 H24 Cl3 N O P Re
Title of publication	Aza-metallacycles with a heptavalent Re (d<sup>0</sup>) center.
Authors of publication	Wang, Qianhang; Wang, Yarong; Zhao, Yue; Li, Yang; Jiang, Wenfeng; Bai, Wei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	31
Pages of publication	12872 - 12875
a	10.4425 ± 0.0006 Å
b	22.9633 ± 0.0012 Å
c	14.07 ± 0.0008 Å
α	90°
β	109.99 ± 0.002°
γ	90°
Cell volume	3170.6 ± 0.3 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
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	0.0595
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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