Crystallography Open Database

Information card for entry 4072440

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Coordinates	4072440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H47 Br N4 O5.5
Calculated formula	C39 H47 Br N4 O5.5
Title of publication	Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes
Authors of publication	Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	24
Pages of publication	5774
a	32.8293 ± 0.0005 Å
b	8.9223 ± 0.0001 Å
c	25.9432 ± 0.0006 Å
α	90°
β	95.836 ± 0.001°
γ	90°
Cell volume	7559.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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