Crystallography Open Database

Information card for entry 7710978

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Coordinates	7710978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Br2 Cl8 Cu3 N2 O18
Calculated formula	C34 H30 Br2 Cl8 Cu3 N2 O18
Title of publication	Thermal Induced Charge Transfer in Quinoid-bridged Linear Cu3 Compound
Authors of publication	Liu, Xiao-Lin; Zhang, Xiao-Yi; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lansun
Journal of publication	Dalton Transactions
Year of publication	2022
a	7.2675 ± 0.0002 Å
b	12.4908 ± 0.0003 Å
c	12.5292 ± 0.0003 Å
α	98.477 ± 0.002°
β	95.12 ± 0.002°
γ	95.417 ± 0.002°
Cell volume	1113.75 ± 0.05 Å³
Cell temperature	299.99 ± 0.1 K
Ambient diffraction temperature	299.99 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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