Crystallography Open Database

Information card for entry 7244774

Preview

Coordinates	7244774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.5 H12 Cd N6 O7.5
Calculated formula	C12.5 H12 Cd N6 O7.5
Title of publication	Coordination polymers fabricated from Cd(NO3)2 and N,N',O-pincer type isonicotinoylhydrazone based polytopyc ligands – an insight from experimental and theoretical investigations
Authors of publication	Mitoraj, Mariusz Paweł; Mahmoudi, Ghodrat; Akbari Afkhami, Farhad; Khandar, AliAkbar; White, Jonathan; Maniukiewicz, Waldemar; Babashkina, Maria G.; Sagan, Filip; Safin, Damir
Journal of publication	CrystEngComm
Year of publication	2022
a	13.4405 ± 0.0003 Å
b	16.5001 ± 0.0004 Å
c	14.9111 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3306.83 ± 0.13 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274514 (current)	2022-04-14	cif/ Adding structures of 7244774, 7244775, 7244776 via cif-deposit CGI script.	7244774.cif