Crystallography Open Database

Information card for entry 7135825

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Coordinates	7135825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Co N
Calculated formula	C3.16667 H2.5 Co0.166667 N0.333333
Title of publication	Tuning of Single-Molecule Conductance via Regioisomerism and Desilylation in (η⁵-Cp)Co(η⁴-Cb) Complexes
Authors of publication	Ding, Ye-Hao; Zuo, Xin; Dai, Yu-Han; Li, Yuanming; Yan, Jian-Feng; Chen, Lichuan; Xiang, Dong; Yuan, Yaofeng
Journal of publication	Chemical Communications
Year of publication	2026
a	10.3628 ± 0.001 Å
b	19.026 ± 0.002 Å
c	7.5744 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1493.4 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0581
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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