Crystallography Open Database

Information card for entry 1577486

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Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 Cd Cl N2 O4
Calculated formula	C11 H11 Cd Cl N2 O4
Title of publication	Cooperativity and Anticooperativity Effects in a Cadmium-Based Metal−Organic Framework: Structural Characterization, Non-Covalent Interaction Analysis, and Catalytic Activity
Authors of publication	Sadhukhan, Arijit; Mal, Dasarath; Maity, Buddhadev; Mahapatra, Debadyuti; Maity, Tanmoy; Brandao, Paula; Das, Asit Kumar; Roy Choudhury, Chirantan; Bhaumik, Prasanta Kumar; Frontera, Antonio
Journal of publication	Langmuir
Year of publication	2026
Journal volume	42
Journal issue	20
Pages of publication	14128 - 14141
a	6.848 ± 0.0001 Å
b	25.4263 ± 0.0005 Å
c	7.4429 ± 0.0002 Å
α	90°
β	98.557 ± 0.002°
γ	90°
Cell volume	1281.53 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0369
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0535
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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