Crystallography Open Database

Information card for entry 7124558

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Coordinates	7124558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.75 H35.5 Cl2.5 N6 Rh
Calculated formula	C48.753 H35.506 Cl2.506 N6 Rh
Title of publication	Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis.
Authors of publication	Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2014
Journal volume	50
Journal issue	26
Pages of publication	3488 - 3490
a	9.6618 ± 0.0001 Å
b	17.3989 ± 0.0002 Å
c	25.1987 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4236.02 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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