Crystallography Open Database

Information card for entry 7246976

Preview

Coordinates	7246976.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cd(PyImPr)2-hlz-alpha
Chemical name	Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]
Formula	C26 H28 Cd N6 O10
Calculated formula	C26 H28 Cd N6 O10
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	5.0968 ± 0.0001 Å
b	18.2442 ± 0.0003 Å
c	15.0256 ± 0.0003 Å
α	90°
β	96.058 ± 0.001°
γ	90°
Cell volume	1389.38 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.032
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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.	7246976.cif
284782	2023-07-05	cif/ Adding structures of 7246974, 7246975, 7246976, 7246977 via cif-deposit CGI script.	7246976.cif