Crystallography Open Database

Information card for entry 7061584

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Coordinates	7061584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H44 Cl6 N8 O2 Zn4
Calculated formula	C45 H44 Cl6 N8 O2 Zn4
Title of publication	A new diformyl phenol based chemosensor selectively detects Zn2+ and Co2+ in the nanomolar range in 100% aqueous medium and HCT live cells
Authors of publication	Naskar, Barnali; Das Mukhopadhyay, Chitrangada; Goswami, Sanchita
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	24
Pages of publication	11946 - 11955
a	25.473 ± 0.006 Å
b	11.826 ± 0.003 Å
c	16.454 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4957 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0761
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.178
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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