Crystallography Open Database

Information card for entry 4004045

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Coordinates	4004045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H18 Cu2 N2 O11
Calculated formula	C40.5 H18 Cu2 N O11
Title of publication	Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks
Authors of publication	Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	20
Pages of publication	7964 - 7971
a	46.14 ± 0.005 Å
b	46.14 ± 0.005 Å
c	46.14 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	98227 ± 18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.2888
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.895 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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