Crystallography Open Database

Information card for entry 4515424

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Coordinates	4515424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H48 Cd2 N15 O10 S3
Calculated formula	C64 H48 Cd2 N15 O10 S3
Title of publication	Multifunctional Behavior of Sulfonate-Based Hydrolytically Stable Microporous Metal-Organic Frameworks.
Authors of publication	Desai, Aamod V.; Joarder, Biplab; Roy, Arkendu; Samanta, Partha; Babarao, Ravichandar; Ghosh, Sujit K.
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	45
Pages of publication	39049 - 39055
a	9.5251 ± 0.0006 Å
b	15.1178 ± 0.0008 Å
c	25.8099 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3716.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	17
Hermann-Mauguin space group symbol	P 2 2 21
Hall space group symbol	P 2c 2
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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