Crystallography Open Database

Information card for entry 7107397

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Coordinates	7107397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H172 Cl4 N12 O Rh4
Calculated formula	C128 H172 Cl4 N12 O Rh4
Title of publication	Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities
Authors of publication	Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne
Journal of publication	Chem. Commun.
Year of publication	2012
Journal volume	48
Pages of publication	2349
a	34.457 ± 0.001 Å
b	10.924 ± 0.0003 Å
c	32.264 ± 0.0008 Å
α	90°
β	96.349 ± 0.001°
γ	90°
Cell volume	12070 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0471
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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