Crystallography Open Database

Information card for entry 7125979

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Coordinates	7125979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H44.5 Br Cr N4 O14.25
Calculated formula	C27.5 H44.5 Br Cr N4 O14.25
Title of publication	Designing Cr complexes for a neutral Fe-Cr redox flow battery.
Authors of publication	Ruan, Wenqing; Mao, Jiatao; Yang, Shida; Shi, Chuan; Jia, Guochen; Chen, Qing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	21
Pages of publication	3171 - 3174
a	9.8426 ± 0.0007 Å
b	12.5393 ± 0.0009 Å
c	16.1571 ± 0.0015 Å
α	75.374 ± 0.007°
β	79.253 ± 0.007°
γ	72.06 ± 0.007°
Cell volume	1822.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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