Crystallography Open Database

Information card for entry 7061204

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Coordinates	7061204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H88 Cu3 N8 O29
Calculated formula	C46 H22 Cu3 O22
Title of publication	Two porous three-dimensional (3D) metal–organic frameworks based on diverse metal clusters: selective sensing of Fe3+ and Cr2O72−
Authors of publication	Yan, Yang-Tian; Wu, Yun-long; Zheng, Li-Na; Wei-Cai,; Tang, Peng-Fei; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4292 - 4299
a	30.462 ± 0.004 Å
b	28.777 ± 0.004 Å
c	12.1091 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	10615 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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