Crystallography Open Database

Information card for entry 7714398

Preview

Coordinates	7714398.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Macrocycle
Formula	C71 H72 B4 F16 O10 Te4
Calculated formula	C71 H72 B4 F16 O10 Te4
Title of publication	Electrocatalytic Hydrogen Evolution Mediated by an Organotelluroxane Macrocycle Stabilized through Secondary Interactions
Authors of publication	Narsimhulu, Gujju; Samuel, Calvin; Sathish, Palani; Dasari, Sai Hemanth Kumar; Krishnamoorthy, Kothandam; Viswanathan, Baskar
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.0516 ± 0.0002 Å
b	17.0082 ± 0.0003 Å
c	26.0697 ± 0.0004 Å
α	90°
β	97.065 ± 0.001°
γ	90°
Cell volume	7503.3 ± 0.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0594
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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

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