Crystallography Open Database

Information card for entry 7717761

Preview

Coordinates	7717761.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cadmium-Organic Compound
Formula	C46 H27 Cd1.5 F12 N2 O8
Calculated formula	C46 H27 Cd1.5 F12 N2 O8
Title of publication	A Cd-based crystalline network material: catalytic properties and post-synthetic metal-ion metathesis with enhanced stability and gas sorption behaviour.
Authors of publication	Das, Chhatan; Misra, Arunava; Mondal, Mohabul Alam; Mahata, Partha
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	8
Pages of publication	3235 - 3245
a	13.1915 ± 0.0012 Å
b	25.052 ± 0.002 Å
c	14.824 ± 0.0013 Å
α	90°
β	113.853 ± 0.002°
γ	90°
Cell volume	4480.5 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.035
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
298264 (current)	2025-03-04	cif/ Updating files of 7717761 Original log message: Adding full bibliography for 7717761.cif.	7717761.cif
297153	2025-01-07	cif/ Adding structures of 7717761 via cif-deposit CGI script.	7717761.cif