Crystallography Open Database

Information card for entry 7231864

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Coordinates	7231864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al13 H53 O67 S3
Calculated formula	Al13 H25 O68 S3
Title of publication	Crystallization of aluminum polycation sulfates: transformation of tetrahedral crystals into block crystals in aqueous solutions
Authors of publication	An, Guangyu; Jiang, Yuqian; Xi, Jinyang; Liu, Libing; Wang, Pin; Xiao, Feng; Wang, Dongsheng
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	202
a	14.03 ± 0.003 Å
b	11.502 ± 0.002 Å
c	17.598 ± 0.004 Å
α	90°
β	102.18 ± 0.03°
γ	90°
Cell volume	2775.9 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1585
Residual factor for significantly intense reflections	0.127
Weighted residual factors for significantly intense reflections	0.2529
Weighted residual factors for all reflections included in the refinement	0.2845
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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