Crystallography Open Database

Information card for entry 1506883

Preview

Coordinates	1506883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C153 H186 Cl2 O8 P8 Pt4
Calculated formula	C153 H185 Cl2 O8 P8 Pt4
SMILES	[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2c(OC)c(c3ccccc3c2)c2c([O][CH3])c(cc3ccccc23)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2c(OC)c(c3ccccc3c2)c2c(OC)c(C#C1)cc1ccccc21.ClCCl
Title of publication	Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.
Authors of publication	Hua, Jiang; Lin, Wenbin
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	6
Pages of publication	861 - 864
a	19.0887 ± 0.0014 Å
b	27.889 ± 0.002 Å
c	28.778 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	15320.4 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1825
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1766
Weighted residual factors for all reflections included in the refinement	0.2403
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
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.	1506883.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506883.cif
51520	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506883, 1506884 via cif-deposit CGI script.	1506883.cif