Crystallography Open Database

Information card for entry 7001977

7001976 << 7001977 >> 7001978

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Coordinates	7001977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H128 B2 N6
Calculated formula	C102 H128 B2 N6
Title of publication	Synthesis of rhodium(I) and iridium(I) complexes of chiral N-heterocyclic carbenes and their application to asymmetric transfer hydrogenation
Authors of publication	Dyson, Gavin; Frison, Jean-Cédric; Whitwood, Adrian C.; Douthwaite, Richard E.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	35
Pages of publication	7141
a	19.5255 ± 0.0014 Å
b	10.9535 ± 0.0008 Å
c	21.0834 ± 0.0015 Å
α	90°
β	114.976 ± 0.001°
γ	90°
Cell volume	4087.5 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.257
Weighted residual factors for all reflections included in the refinement	0.2741
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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