Crystallography Open Database

Information card for entry 7113891

Preview

Coordinates	7113891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H94 N0 O7 P4 Pt2
Calculated formula	C76 H92 O7 P4 Pt2
SMILES	[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccc(O)c(c3cc2)c2c(O)ccc3cc(ccc23)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2cc3ccc(O)c(c4c(O)ccc5cc(ccc45)C#C1)c3cc2.O(C(=O)C)CC.O
Title of publication	A chiral metallacyclophane for asymmetric catalysis
Authors of publication	Jiang, Hua; Hu, Aiguo; Lin, Wenbin
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	1
Pages of publication	96 - 97
a	13.833 ± 0.003 Å
b	15.047 ± 0.003 Å
c	17.264 ± 0.004 Å
α	90°
β	92.105 ± 0.005°
γ	90°
Cell volume	3591 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103620
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210412 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7103620, 7113891. Marking entry 7113891 as a duplicate of entry 7103620.	7113891.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113891.cif
115330	2014-06-03	cif/ Adding structures of 7113891 via cif-deposit CGI script.	7113891.cif