Crystallography Open Database

Information card for entry 7246086

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Coordinates	7246086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 Cd2 N8 O10
Calculated formula	C23 H20 Cd2 N8 O10
Title of publication	Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework
Authors of publication	Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	7
Pages of publication	1116 - 1125
a	10.8004 ± 0.0008 Å
b	15.8656 ± 0.0013 Å
c	16.4535 ± 0.0013 Å
α	90°
β	91.071 ± 0.003°
γ	90°
Cell volume	2818.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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