Crystallography Open Database

Information card for entry 7719965

7719964 << 7719965 >> 7719966

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Coordinates	7719965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H19 B F9 N6 Tl
Calculated formula	C30 H19 B F9 N6 Tl
Title of publication	Fluorinated B-phenylated scorpionates as tunable platforms for stabilizing thallium(I) and silver(I)-ethylene complexes
Authors of publication	Noonikara Poyil, Anurag; Phan, Vo Quang Huy; Vanga, Mukundam; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika
Journal of publication	Dalton Transactions
Year of publication	2026
a	9.5841 ± 0.0007 Å
b	22.8479 ± 0.0018 Å
c	13.5563 ± 0.0011 Å
α	90°
β	92.504 ± 0.001°
γ	90°
Cell volume	2965.7 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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