Crystallography Open Database

Information card for entry 4077449

Preview

Coordinates	4077449.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dtbpm)RhCl(2,2'-biphenylene)
Formula	C29 H46 Cl P2 Rh
Calculated formula	C29 H46 Cl P2 Rh
SMILES	[Rh]12(Cl)([P](C(C)(C)C)(C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C)c1ccccc1c1ccccc21
Title of publication	Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene
Authors of publication	Iverson, Carl N.; Jones, William D.
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	26
Pages of publication	5745
a	15.8974 ± 0.0007 Å
b	17.3476 ± 0.0008 Å
c	20.6778 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	5702.6 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	0.617
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
178663 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/74.	4077449.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077449.cif
54352	2012-04-24	cif/ Adding structures of 4077449, 4077450 via cif-deposit CGI script.	4077449.cif