Crystallography Open Database

Information card for entry 4104941

Preview

Coordinates	4104941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 Cl N O2 Rh
Calculated formula	C3 H5 Cl N O2 Rh
SMILES	C[NH2][Rh](C#[O])(C#[O])Cl
Title of publication	One-Dimensional Organometallic Molecular Wires via Assembly of Rh(CO)2Cl(amine): Chemical Control of Interchain Distances and Optical Properties
Authors of publication	Kwonho Jang; Il Gu Jung; Hye Jin Nam; Duk-Young Jung; Seung Uk Son
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	12046 - 12047
a	6.7979 ± 0.0005 Å
b	8.0996 ± 0.0007 Å
c	26.069 ± 0.002 Å
α	90°
β	96.837 ± 0.004°
γ	90°
Cell volume	1425.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1147
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1635
Weighted residual factors for all reflections included in the refinement	0.1824
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104941.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104941.cif
89807	2013-11-12	smi/4 Adding SMILES of metal carbonyls.	4104941.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104941.cif
30069	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4104941 via cif-deposit CGI script.	4104941.cif