Crystallography Open Database

Information card for entry 1504425

Preview

Coordinates	1504425.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(dppe)Pt[N(SO2-4-CH3C6H4)C(H)(Ph)C(H)(Ph)NH]
Formula	C48 H46 Cl2 N2 O2 P2 Pt S
Calculated formula	C48 H46 Cl2 N2 O2 P2 Pt S
SMILES	[Pt]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)N(S(=O)(=O)c1ccc(cc1)C)[C@H]([C@H](N2)c1ccccc1)c1ccccc1.ClCCl
Title of publication	Preparation of Polypeptide via Living Polymerization ofZ-Lys-NCA Initiated by Platinum Complexes
Authors of publication	Peng, Ya-Liu; Lai, Shu-Ling; Lin, Chu-Chieh
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	10
Pages of publication	3455
a	21.9559 ± 0.0013 Å
b	22.58 ± 0.0014 Å
c	8.891 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4407.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	1504425.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504425.cif
42039	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504425 via cif-deposit CGI script.	1504425.cif