Crystallography Open Database

Information card for entry 1518242

Preview

Coordinates	1518242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H86 Cl6 N6 O8 Rh2
Calculated formula	C81 H86 Cl6 N6 O8 Rh2
Title of publication	Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality
Authors of publication	Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	2
Pages of publication	1094
a	13.919 ± 0.006 Å
b	19.144 ± 0.009 Å
c	28.616 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	7625 ± 6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0682
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518242.cif
133106	2015-03-06	cif/ Updating files of 1518242, 1518243, 1518244, 1518245, 1518246, 1518247 Original log message: Adding full bibliography for 1518242--1518247.cif.	1518242.cif
126756	2014-11-11	cif/ Adding structures of 1518242, 1518243, 1518244, 1518245, 1518246, 1518247 via cif-deposit CGI script.	1518242.cif