Crystallography Open Database

Information card for entry 7052681

Preview

Coordinates	7052681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H47 B N7 Rh
Calculated formula	C48 H47 B N7 Rh
SMILES	[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(c2ccc(cc2)N)(n2ccc[n]2[Rh]234([CH]5=[CH]2CC[CH]3=[CH]4CC5)[n]2cccn12)n1cccn1
Title of publication	Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability
Authors of publication	Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	8
Pages of publication	1730
a	14.7482 ± 0.0017 Å
b	21.214 ± 0.003 Å
c	25.12 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7859.3 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.3212
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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
180080 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26.	7052681.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052681.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052681.cif
23725	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052677, 7052678, 7052679, 7052680, 7052681, 7052682, 7052683, 7052684 via cif-deposit CGI script.	7052681.cif