Crystallography Open Database

Information card for entry 7059502

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Coordinates	7059502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 B10 Fe2
Calculated formula	C34 H36 B10 Fe2
Title of publication	Carborane bridged ferrocenyl conjugated molecules: synthesis, structure, electrochemistry and photophysical properties
Authors of publication	Yan, Jian-Feng; Zhu, Gai-Ge; Yuan, Ye; Lin, Cai-Xia; Huang, Shu-Ping; Yuan, Yao-Feng
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	18
Pages of publication	7569 - 7576
a	13.359 ± 0.003 Å
b	7.4489 ± 0.0019 Å
c	32.209 ± 0.008 Å
α	90°
β	91.61 ± 0.004°
γ	90°
Cell volume	3203.8 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0476
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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