Crystallography Open Database

Information card for entry 4115871

Preview

Coordinates	4115871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 Mn O5 P2 Pt S
Calculated formula	C36 H2 Mn O5 P2 Pt S
SMILES	[Pt]1([S]2[Mn](C(=O)[C@H]([C@@H]2C)C)(C#[O])(C#[O])(C#[O])C#[O])([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.[Pt]1([S]2[Mn](C(=O)[C@@H]([C@H]2C)C)(C#[O])(C#[O])(C#[O])C#[O])([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
Title of publication	Regio- and Stereoselective Insertion Reactions of Thiiranes into Pt-Mn (or Re) Bond in Organoplatinum-Manganese or -Rhenium Heterodinuclear Complexes as Intermediates toward Desulfurization Reaction
Authors of publication	Sanshiro Komiya; Shin-ya Muroi; Masaki Furuya; Masafumi Hirano
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	170 - 171
a	13.755 ± 0.007 Å
b	13.79 ± 0.006 Å
c	11.26 ± 0.006 Å
α	97.82 ± 0.04°
β	104.17 ± 0.04°
γ	75 ± 0.03°
Cell volume	1994.2 ± 1.8 Å³
Cell temperature	113.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	2.918
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115871.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115871.cif
70423	2012-12-24	cif/ Adding structures of 4115871 via cif-deposit CGI script.	4115871.cif