Crystallography Open Database

Information card for entry 7034814

Preview

Coordinates	7034814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 B O2 P4 Rh
Calculated formula	C18 H48 B O2 P4 Rh
SMILES	C1(C(C)(C)OB([Rh]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C)O1)(C)C
Title of publication	Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?
Authors of publication	Borner, C.; Brandhorst, K.; Kleeberg, C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	18
Pages of publication	8600 - 8604
a	9.2105 ± 0.0006 Å
b	12.2896 ± 0.0012 Å
c	12.3812 ± 0.0011 Å
α	90.471 ± 0.008°
β	98.184 ± 0.006°
γ	90.52 ± 0.008°
Cell volume	1387.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
138571 (current)	2015-06-07	cif/ Updating files of 7034812, 7034813, 7034814, 7034815, 7034816 Original log message: Adding full bibliography for 7034812--7034816.cif.	7034814.cif
135859	2015-05-09	cif/ Adding structures of 7034812, 7034813, 7034814, 7034815, 7034816 via cif-deposit CGI script.	7034814.cif