Crystallography Open Database

Information card for entry 7061136

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Coordinates	7061136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20 Cl N2 O7 Re
Calculated formula	C31 H20 Cl N2 O7 Re
Title of publication	Electrochromic behavior of fac-tricarbonyl rhenium complexes
Authors of publication	Zhou, Qian-hua; Pan, Ming-yue; He, Qi; Tang, Qian; Chow, Cheuk-fai; Gong, Cheng-bin
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	3
Pages of publication	1072 - 1079
a	9.5221 ± 0.0004 Å
b	20.0965 ± 0.0007 Å
c	16.7407 ± 0.0005 Å
α	90°
β	105.965 ± 0.004°
γ	90°
Cell volume	3080 ± 0.2 Å³
Cell temperature	287.64 ± 0.16 K
Ambient diffraction temperature	287.64 ± 0.16 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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