Crystallography Open Database

Information card for entry 7721185

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Coordinates	7721185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 Br N2 O3 Re
Calculated formula	C15 H8 Br N2 O3 Re
Title of publication	Engineering the rhenium metalation of phenanthroline imino complexes for variable structure activity relationships.
Authors of publication	Jacobs, Frederick J. F.; Fourie, Eleanor; Brink, Alice
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
a	15.6247 ± 0.0012 Å
b	11.8601 ± 0.0009 Å
c	8.0033 ± 0.0006 Å
α	90°
β	106.752 ± 0.003°
γ	90°
Cell volume	1420.15 ± 0.19 Å³
Cell temperature	101 K
Ambient diffraction temperature	101 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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