Crystallography Open Database

Information card for entry 7720279

7720278 << 7720279 >> 7720280

Preview

Coordinates	7720279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H29 B F4 N5 O3 Re
Calculated formula	C29 H29 B F4 N5 O3 Re
Title of publication	Acid–Responsive Rhenium(I) NHC Complexes: Pyrazine vs Pyridine
Authors of publication	Abate, Pedro O.; Rizo, José Francisco; Fernández-de-Córdova, Francisco José; Ros, Abel; Rivada Wheelaghan, Orestes
Journal of publication	Dalton Transactions
Year of publication	2026
a	19.606 ± 0.002 Å
b	9.987 ± 0.001 Å
c	16.0179 ± 0.0012 Å
α	90°
β	103.353 ± 0.004°
γ	90°
Cell volume	3051.6 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
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	0.0427
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0774
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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