Crystallography Open Database

Information card for entry 7720278

7720277 << 7720278 >> 7720279

Preview

Coordinates	7720278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl N4 O3 Re
Calculated formula	C20 H18 Cl N4 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	7.78 ± 0.0004 Å
b	13.5149 ± 0.0007 Å
c	19.6193 ± 0.0008 Å
α	90°
β	96.022 ± 0.002°
γ	90°
Cell volume	2051.51 ± 0.17 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0347
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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