Crystallography Open Database

Information card for entry 7034812

Preview

Coordinates	7034812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H52 P6 Rh2
Calculated formula	C18 H52 P6 Rh2
SMILES	C1[P](C)(C)[Rh](C[P](C)(C)[Rh]1([P](C)(C)C)[P](C)(C)C)([P](C)(C)C)[P](C)(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	9.6621 ± 0.0002 Å
b	12.0824 ± 0.0002 Å
c	13.1972 ± 0.0002 Å
α	90°
β	108.536 ± 0.002°
γ	90°
Cell volume	1460.74 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0214
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0466
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	7034812.cif
135859	2015-05-09	cif/ Adding structures of 7034812, 7034813, 7034814, 7034815, 7034816 via cif-deposit CGI script.	7034812.cif