Crystallography Open Database

Information card for entry 4100772

Preview

Coordinates	4100772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H146 N2 O10 P8 Pt4
Calculated formula	C90 H146 N2 O10 P8 Pt4
SMILES	O.[P](CC)(CC)(CC)[Pt]1(OC(=O)c2cccc(C(=O)O[Pt](c3ccc4ccc5ccc(cc5c4c3)[Pt](OC(=O)c3cccc(C(=O)O[Pt](c4ccc5ccc6ccc1cc6c5c4)([P](CC)(CC)CC)[P](CC)(CC)CC)n3)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC)n2)[P](CC)(CC)CC.O
Title of publication	Design, Synthesis, and Crystallographic Studies of Neutral Platinum-Based Macrocycles Formed via Self-Assembly
Authors of publication	Partha Sarathi Mukherjee; Neeladri Das; Yury K. Kryschenko; Atta M. Arif; Peter J. Stang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	2464 - 2473
a	17.2967 ± 0.0002 Å
b	21.7453 ± 0.0002 Å
c	26.3952 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9927.81 ± 0.19 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277856 (current)	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4100772.cif
277855	2022-09-15	cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines.	4100772.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4100772.cif
64641	2012-08-21	cif/4 Completing bibliographic data for a set of JACS-2004 entries	4100772.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4100772.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4100772.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4100772.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4100772.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4100772.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4100772.cif