Crystallography Open Database

Information card for entry 7063091

Preview

Coordinates	7063091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22.5 Fe N2
Calculated formula	C30 H22.5 Fe N2
SMILES	[Fe]12345678([cH]9[cH]3[cH]2[cH]4[c]19c1ccc(c2ccc(/C=C(C#N)/c3ncccc3)cc2)cc1)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Designing a ferrocene biphenyl pyridine modified electrode for the non-enzymatic electrochemical detection of catechol
Authors of publication	Purushothaman, Palani; Mohanapriya, Devarasu; Thenmozhi, Kathavarayan; Karpagam, Subramanian
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	15
Pages of publication	6893 - 6901
a	10.3385 ± 0.0007 Å
b	11.3107 ± 0.0008 Å
c	20.2487 ± 0.0014 Å
α	94.76 ± 0.002°
β	98.914 ± 0.002°
γ	105.686 ± 0.002°
Cell volume	2232.6 ± 0.3 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1826
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1368
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
291679 (current)	2024-05-05	cif/ Updating files of 7063091 Original log message: Adding full bibliography for 7063091.cif.	7063091.cif
290531	2024-03-19	cif/ Adding structures of 7063091 via cif-deposit CGI script.	7063091.cif