Crystallography Open Database

Information card for entry 4003170

Preview

Coordinates	4003170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H48 Cu2 I2 N8 O5
Calculated formula	C50 H48 Cu2 I2 N8 O5
Title of publication	Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner
Authors of publication	Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	15
Pages of publication	5349
a	24.104 ± 0.0015 Å
b	12.539 ± 0.0008 Å
c	17.9067 ± 0.0011 Å
α	90°
β	113.374 ± 0.003°
γ	90°
Cell volume	4968 ± 0.5 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.0941
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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