Crystallography Open Database

Information card for entry 2006665

2006664 << 2006665 >> 2006666

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Coordinates	2006665.cif
Original IUCr paper	HTML

Structure parameters

Formula	C48 H44 B F4 P2 Rh
Calculated formula	C48 H44 B F4 P2 Rh
SMILES	[Rh]1([P]([C@@H]2C3c4ccccc4C([C@H]2[P]1(c1ccccc1)c1ccccc1)c1ccccc31)(c1ccccc1)c1ccccc1)([CH]12)([CH]=1CC3)([CH]31)[CH]=1CC2.[B](F)(F)(F)[F-]
Title of publication	[(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate
Authors of publication	Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	11
Pages of publication	1577 - 1579
a	10.158 ± 0.0002 Å
b	10.158 ± 0.0002 Å
c	39.7543 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4102.05 ± 0.13 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.043
Weighted residual factors for all reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections	2.51
Goodness-of-fit parameter for all reflections included in the refinement	2.51
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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