Crystallography Open Database

Information card for entry 7052757

Preview

Coordinates	7052757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Cl N3 O Rh
Calculated formula	C23 H25 Cl N3 O Rh
SMILES	[Rh]1(=C2N(C(=[N]1c1c(cccc1C)C)c1ccccc1)C=CN2C(C)(C)C)(Cl)C#[O]
Title of publication	Investigation of ligand steric effects on a highly cis-selective Rh(i) cyclopropanation catalyst
Authors of publication	Rosenberg, Marianne Lenes; Langseth, Eirin; Krivokapic, Alexander; Gupta, Nalinava Sen; Tilset, Mats
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2306
a	19.641 ± 0.0007 Å
b	47.28 ± 0.0014 Å
c	9.725 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	9031 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Cell measurement pressure	101 ± 1 kPa
Ambient diffracton pressure	101 ± 1 kPa
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0515
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
180081 (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 7/05/27.	7052757.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052757.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052757.cif
28150	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052756, 7052757 via cif-deposit CGI script.	7052757.cif