Crystallography Open Database

Information card for entry 4070583

Preview

Coordinates	4070583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Br2 N4 O4 Rh2
Calculated formula	C14 H14 Br2 N4 O4 Rh2
SMILES	[Rh](Br)(C#[O])(C#[O])=C1N(CCN2C(=[Rh](Br)(C#[O])C#[O])N(C=C2)C)C=CN1C
Title of publication	A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands
Authors of publication	Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	691
a	12.8695 ± 0.0013 Å
b	13.727 ± 0.0014 Å
c	11.6622 ± 0.0012 Å
α	90°
β	93.176 ± 0.002°
γ	90°
Cell volume	2057.1 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0276
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178594 (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 4/07/05.	4070583.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070583.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070583.cif
42577	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070581, 4070582, 4070583, 4070584, 4070585, 4070586, 4070587 via cif-deposit CGI script.	4070583.cif