Crystallography Open Database

Information card for entry 7712235

Preview

Coordinates	7712235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H68 B F4 O P4 Rh
Calculated formula	C54 H68 B F4 O P4 Rh
SMILES	[Rh]12([P@@](c3ccccc3c3ccccc3)(c3ccccc3)C[P]2(C(C)C)C(C)C)[P@@](c2ccccc2c2ccccc2)(c2ccccc2)C[P]1(C(C)C)C(C)C.[B](F)(F)(F)[F-].O1CCCC1
Title of publication	Rhodium and ruthenium complexes of methylene-bridged, <i>P</i>-stereogenic, unsymmetrical diphosphanes.
Authors of publication	Eusamio, Javier; Medina, Yaiza M.; Córdoba, Javier C; Vidal-Ferran, Anton; Sainz, Daniel; Gutiérrez, Albert; Font-Bardia, Mercè; Grabulosa, Arnald
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	8
Pages of publication	2424 - 2439
a	15.6831 ± 0.0015 Å
b	14.2537 ± 0.0013 Å
c	22.935 ± 0.003 Å
α	90°
β	96.936 ± 0.005°
γ	90°
Cell volume	5089.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283251 (current)	2023-05-05	cif/ Updating files of 7712233, 7712234, 7712235 Original log message: Adding full bibliography for 7712233--7712235.cif.	7712235.cif
280715	2023-02-01	cif/ Adding structures of 7712233, 7712234, 7712235 via cif-deposit CGI script.	7712235.cif