Crystallography Open Database

Information card for entry 7126101

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Coordinates	7126101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 N3 Re
Calculated formula	C43 H57 N3 Re
Title of publication	Electron acceptors promote proton-hydride tautomerism in low valent rhenium β-diketiminates.
Authors of publication	Lohrey, Trevor D.; Fostvedt, Jade I.; Bergman, Robert G.; Arnold, John
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	26
Pages of publication	3761 - 3764
a	9.4458 ± 0.0005 Å
b	19.0455 ± 0.001 Å
c	10.9694 ± 0.0006 Å
α	90°
β	106.664 ± 0.002°
γ	90°
Cell volume	1890.52 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1388
Goodness-of-fit parameter for all reflections included in the refinement	1.453
Diffraction radiation wavelength	0.7288 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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