Crystallography Open Database

Information card for entry 7128538

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Coordinates	7128538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H64 Br2 Cr2 N2 O18
Calculated formula	C28 H64 Br2 Cr2 N2 O18
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	16.6558 ± 0.0003 Å
b	11.3245 ± 0.0003 Å
c	23.4109 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4415.73 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.2401
Weighted residual factors for all reflections included in the refinement	0.2632
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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