Crystallography Open Database

Information card for entry 4078516

Preview

Coordinates	4078516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28.85 H35.74 Br0.04 N3 O Re
Calculated formula	C28.85 H35.7375 Br0.0375 N3 O Re
Title of publication	Synthesis of Oxorhenium Acetyl and Benzoyl Complexes Incorporating Diamidopyridine Ligands: Implications for the Mechanism of CO Insertion
Authors of publication	Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4295
a	16.998 ± 0.005 Å
b	18.682 ± 0.005 Å
c	20.185 ± 0.007 Å
α	90°
β	124.049 ± 0.007°
γ	90°
Cell volume	5311 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0776
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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