Crystallography Open Database

Information card for entry 1575403

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Coordinates	1575403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H84 Cu4 I N27 O9
Calculated formula	C114 H84 Cu4 I N24
Title of publication	Robust copper-based cationic metal-organic frameworks for efficient sequestration of perrhenate/pertechnetate.
Authors of publication	Wang, Wenchang; Li, Lei; Zhang, Meiyu; Kang, Kang; Xiao, Chengliang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	36
Pages of publication	13529 - 13539
a	17.0877 ± 0.0005 Å
b	17.0877 ± 0.0005 Å
c	17.0877 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4989.4 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	201
Hermann-Mauguin space group symbol	P n -3 :2
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.127
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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