Crystallography Open Database

Information card for entry 7247886

Preview

Coordinates	7247886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 Cd N12 O14
Calculated formula	C18 H14 Cd N12 O14
Title of publication	Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance
Authors of publication	Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	4
Pages of publication	494 - 503
a	10.7851 ± 0.0004 Å
b	5.4371 ± 0.0002 Å
c	22.4992 ± 0.001 Å
α	90°
β	91.358 ± 0.004°
γ	90°
Cell volume	1318.98 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
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	0.0476
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0767
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	0.9008
Diffraction radiation probe	x-ray
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
289446 (current)	2024-02-04	cif/ Updating files of 7247886, 7247887 Original log message: Adding full bibliography for 7247886--7247887.cif.	7247886.cif
288488	2023-12-22	cif/ Adding structures of 7247886, 7247887 via cif-deposit CGI script.	7247886.cif