Crystallography Open Database

Information card for entry 7709308

Preview

Coordinates	7709308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H32 Cl4 N P2 Re
Calculated formula	C35 H32 Cl4 N P2 Re
Title of publication	Synthesis, Structure and Aromaticity of Metallapyridinium Complexes
Authors of publication	Wang, Yilun; Sun, Yue; Bai, Wei; Zhou, Yan; Bao, Xiao; Yang, Li
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.0191 ± 0.0009 Å
b	11.9932 ± 0.0006 Å
c	17.223 ± 0.0009 Å
α	90°
β	108.585 ± 0.002°
γ	90°
Cell volume	3332.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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