Crystallography Open Database

Information card for entry 7709309

Preview

Coordinates	7709309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H71 B Cl3 N O P3 Re
Calculated formula	C75 H71 B Cl3 N O P3 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	19.2784 ± 0.0008 Å
b	22.0302 ± 0.0009 Å
c	17.072 ± 0.0007 Å
α	90°
β	106.164 ± 0.001°
γ	90°
Cell volume	6964 ± 0.5 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 K
Number of distinct elements	8
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	0.107
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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