Crystallography Open Database

Information card for entry 4345743

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Coordinates	4345743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37.55 Cl N6 O3 Re
Calculated formula	C32 H37.545 Cl N6 O3 Re
Title of publication	Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.
Authors of publication	Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	10
Pages of publication	5771 - 5783
a	13.675 ± 0.004 Å
b	13.785 ± 0.004 Å
c	23.598 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4448 ± 2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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