Crystallography Open Database

Information card for entry 1564635

Preview

Coordinates	1564635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 Cl N2 Rh
Calculated formula	C21 H26 Cl N2 Rh
SMILES	[Rh]123(Cl)(=C4N(C=CN4Cc4ccc(cc4)C=C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes
Authors of publication	Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo
Journal of publication	Catalysis Science & Technology
Year of publication	2021
Journal volume	11
Journal issue	20
Pages of publication	6811 - 6824
a	12.4856 ± 0.0003 Å
b	10.6263 ± 0.0002 Å
c	15.2385 ± 0.0004 Å
α	90°
β	98.181 ± 0.002°
γ	90°
Cell volume	2001.2 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0411
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270344 (current)	2021-11-06	cif/ Updating files of 1564635, 1564636 Original log message: Adding full bibliography for 1564635--1564636.cif.	1564635.cif
269131	2021-09-15	cif/ Adding structures of 1564635, 1564636 via cif-deposit CGI script.	1564635.cif