Crystallography Open Database

Information card for entry 7108128

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Coordinates	7108128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H70 B2 F24 Ir N5
Calculated formula	C76 H70 B2 F24 Ir N5
Title of publication	Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes
Authors of publication	Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	8096
a	22.8105 ± 0.0002 Å
b	19.0153 ± 0.0002 Å
c	19.9792 ± 0.0002 Å
α	90°
β	117.11 ± 0.1°
γ	90°
Cell volume	7714 ± 7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.233
Weighted residual factors for all reflections included in the refinement	0.233
Goodness-of-fit parameter for all reflections included in the refinement	1.274
Diffraction radiation probe	neutron
Diffraction radiation type	Neutron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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