Crystallography Open Database

Information card for entry 7246974

Preview

Coordinates	7246974.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd(PyImPr)-kgd-beta
Chemical name	Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]
Formula	C20 H14 Cd N4 O8
Calculated formula	C20 H14 Cd N4 O8
Title of publication	Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.
Authors of publication	Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	29
Pages of publication	4175 - 4181
a	4.9864 ± 0.0005 Å
b	10.0378 ± 0.0011 Å
c	10.0982 ± 0.0011 Å
α	72.982 ± 0.005°
β	83.424 ± 0.006°
γ	79.174 ± 0.005°
Cell volume	473.75 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2172
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286080 (current)	2023-09-05	cif/ Updating files of 7246974, 7246975, 7246976, 7246977 Original log message: Adding full bibliography for 7246974--7246977.cif.	7246974.cif
284782	2023-07-05	cif/ Adding structures of 7246974, 7246975, 7246976, 7246977 via cif-deposit CGI script.	7246974.cif