Crystallography Open Database

Information card for entry 7712314

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Coordinates	7712314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 N6 Ni O2
Calculated formula	C42 H56 N6 Ni O2
Title of publication	A Multi-cation Responsive Ni(II)-Supramolecular Metallogel Mimics as Molecular Keypad Lock via Reversible Fluorescence Switching
Authors of publication	Singh, Vaishali; Kala, Shubhra; Rom, Tanmay; Paul, Avijit; Pandey, Rampal
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.0649 ± 0.0004 Å
b	9.0718 ± 0.0004 Å
c	12.9046 ± 0.0006 Å
α	72.8 ± 0.001°
β	75.386 ± 0.001°
γ	73.838 ± 0.002°
Cell volume	956.83 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0909
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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