Crystallography Open Database

Information card for entry 7224574

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Structure parameters

Formula	C6 H34 Cu N4 O20 S4
Calculated formula	C6 H34 Cu N4 O20 S4
Title of publication	Synthesis, crystal structure and disorder–order phase transition of a new diamine templated metal sulfate, (C3H12N2)2[Cu(H2O)4(SO4)2](HSO4)2
Authors of publication	Chen, Chun-Hong; Mu, Rong; Zhang, Li; Xu, Guan-Cheng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	15
Pages of publication	2719
a	10.649 ± 0.004 Å
b	10.677 ± 0.004 Å
c	10.799 ± 0.004 Å
α	94.771 ± 0.004°
β	100.757 ± 0.004°
γ	95.748 ± 0.004°
Cell volume	1193.7 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0276
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224574.cif
182640	2016-05-06	cif/ Updating files of 7224573, 7224574 Original log message: Adding full bibliography for 7224573--7224574.cif.	7224574.cif
178133	2016-03-11	cif/ Adding structures of 7224573, 7224574 via cif-deposit CGI script.	7224574.cif