Crystallography Open Database

Information card for entry 7709654

Preview

Coordinates	7709654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H35 B2 Cl O4 P3 Rh
Calculated formula	C21 H35 B2 Cl O4 P3 Rh
SMILES	c12c(cccc1)OB(O2)[Rh](B1Oc2c(cccc2)O1)(Cl)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
Title of publication	Ligand properties of boryl ligands in bis-boryl rhodium(iii) complexes: a case study
Authors of publication	Drescher, Wiebke; Kleeberg, Christian
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.9802 ± 0.0001 Å
b	32.0928 ± 0.0006 Å
c	9.3574 ± 0.0002 Å
α	90°
β	92.003 ± 0.002°
γ	90°
Cell volume	2695.15 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.172
Diffraction radiation probe	x-ray
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
273445 (current)	2022-03-05	cif/ Adding structures of 7709650, 7709651, 7709652, 7709653, 7709654, 7709655, 7709656, 7709657, 7709658, 7709659, 7709660, 7709661 via cif-deposit CGI script.	7709654.cif