Crystallography Open Database

Information card for entry 7205953

7205952 << 7205953 >> 7205954

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Coordinates	7205953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cu4 N8 O12 S3
Calculated formula	C52 H40 Cu4 N8 O12 S3
Title of publication	The first in situ organosulfonate-templated 3-fold interpenetrating framework built from rare tetrahedral [Cu4(μ4-SO4)] SBUs
Authors of publication	Deng, Zhao-Peng; Zhu, Zhi-Biao; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	11
Pages of publication	3895
a	10.628 ± 0.002 Å
b	35.255 ± 0.007 Å
c	15.059 ± 0.003 Å
α	90°
β	110.5 ± 0.03°
γ	90°
Cell volume	5285 ± 2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0854
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1832
Weighted residual factors for all reflections included in the refinement	0.1977
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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