Crystallography Open Database

Information card for entry 7002071

7002070 << 7002071 >> 7002072

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Coordinates	7002071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 B N4 Rh
Calculated formula	C48 H50 B N4 Rh
Title of publication	Pyrazolyl-N-heterocyclic carbene complexes of rhodium as hydrogenation catalysts: The influence of ligand steric bulk on catalyst activity
Authors of publication	Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	35
Pages of publication	7029
a	16.1877 ± 0.0002 Å
b	9.2908 ± 0.0001 Å
c	26.4808 ± 0.0003 Å
α	90°
β	93.842 ± 0.001°
γ	90°
Cell volume	3973.67 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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