Crystallography Open Database

Information card for entry 1577485

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H19 Cd F6 N4 O7
Calculated formula	C32 H19 Cd F6 N4 O7
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	15.3475 ± 0.0005 Å
b	9.1455 ± 0.0004 Å
c	21.6383 ± 0.0007 Å
α	90°
β	102.688 ± 0.003°
γ	90°
Cell volume	2963 ± 0.19 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306912 (current)	2026-09-25	cif/ Adding structures of 1577485 via cif-deposit CGI script.	1577485.cif