Crystallography Open Database

Information card for entry 7062357

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Coordinates	7062357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 Fe2 N2
Calculated formula	C29 H26 Fe2 N2
SMILES	[Fe]12345678([c]9([cH]7[cH]8[cH]6[cH]19)c1n(c6c(n1)cc(cc6)C)C[c]16[cH]7[Fe]89%10%11%12%131([cH]6[cH]9[cH]78)[cH]1[cH]%10[cH]%12[cH]%13[cH]%111)[cH]1[cH]2[cH]5[cH]4[cH]31
Title of publication	Mono- and di-ferrocene conjugated 5-methyl benzimidazole based multi-channel receptors for cations/anions with their antimicrobial and anticancer studies
Authors of publication	Nedunchezhian, Kavitha; Nallathambi, Sengottuvelan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	10
Pages of publication	4656 - 4666
a	9.6083 ± 0.0004 Å
b	14.0301 ± 0.0006 Å
c	17.6821 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2383.64 ± 0.19 Å³
Cell temperature	303.9 ± 0.8 K
Ambient diffraction temperature	303.9 ± 0.8 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1206
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
281682 (current)	2023-03-07	cif/ Adding structures of 7062357 via cif-deposit CGI script.	7062357.cif