Crystallography Open Database

Information card for entry 7715045

Preview

Coordinates	7715045.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H16 Co N8
Calculated formula	C32 H16 Co N8
Title of publication	Cobalt(III)-containing penta-dentate "helmet"-type phthalogens: synthesis, solid-state structures and their thermal and electrochemical characterization.
Authors of publication	Al-Shewiki, Rasha K; Weheabby, Saddam; Uhlig, Nell; Korb, Marcus; Pester, Tom; Zahn, Stefan; Grecchi, S.; Mussini, P. R.; Rüffer, Tobias; Lang, Heinrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	8
Pages of publication	3836 - 3854
a	14.5319 ± 0.0009 Å
b	4.7748 ± 0.0003 Å
c	17.1718 ± 0.0009 Å
α	90°
β	105.818 ± 0.006°
γ	90°
Cell volume	1146.38 ± 0.12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.0499
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290160 (current)	2024-03-04	cif/ Updating files of 7715044, 7715045, 7715046, 7715047, 7715048 Original log message: Adding full bibliography for 7715044--7715048.cif.	7715045.cif
289197	2024-01-30	cif/ Adding structures of 7715044, 7715045, 7715046, 7715047, 7715048 via cif-deposit CGI script.	7715045.cif