Crystallography Open Database

Information card for entry 4077450

Preview

Coordinates	4077450.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(PPh3)2RhCl(2,2'-biphenylene)
Formula	C49 H40 Cl3 P2 Rh
Calculated formula	C49 H40 Cl3 P2 Rh
SMILES	[Rh]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12.C(Cl)Cl
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	9.8486 ± 0.0005 Å
b	22.8268 ± 0.0012 Å
c	18.3084 ± 0.0009 Å
α	90°
β	96.227 ± 0.001°
γ	90°
Cell volume	4091.7 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	0.692
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.	4077450.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077450.cif
54352	2012-04-24	cif/ Adding structures of 4077449, 4077450 via cif-deposit CGI script.	4077450.cif