Crystallography Open Database

Information card for entry 7128539

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Coordinates	7128539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H32 Br Cr N O9
Calculated formula	C14 H32 Br Cr N O9
Title of publication	Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.
Authors of publication	Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	59
Pages of publication	7292 - 7295
a	8.417 ± 0.004 Å
b	11.396 ± 0.005 Å
c	23.622 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2265.8 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0872
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1587
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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