Crystallography Open Database

Information card for entry 4089537

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Coordinates	4089537.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.14 H48.28 B F20 Ir N O2 P3
Calculated formula	C48.138 H48.276 B F20 Ir N O2 P3
Title of publication	A Cationic Terminal Methylene Complex of Ir(I) Supported by a Pincer Ligand
Authors of publication	Campos, Jesus; Peloso, Riccardo; Brookhart, Maurice; Carmona, Ernesto
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	11
Pages of publication	3423
a	17.7075 ± 0.0003 Å
b	17.6667 ± 0.0004 Å
c	17.8087 ± 0.0004 Å
α	90°
β	102.407 ± 0.001°
γ	90°
Cell volume	5441 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0471
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0851
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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