Crystallography Open Database

Information card for entry 4115872

Preview

Coordinates	4115872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 Mn O5 P2 Pt
Calculated formula	C32 H27 Mn O5 P2 Pt
SMILES	[Pt]1([Mn](C#[O])(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	16.12 ± 0.01 Å
b	16.238 ± 0.007 Å
c	12.232 ± 0.003 Å
α	102.01 ± 0.02°
β	91.19 ± 0.04°
γ	88.27 ± 0.06°
Cell volume	3130 ± 2 Å³
Cell temperature	293.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.205
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.	4115872.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115872.cif
70424	2012-12-24	cif/ Adding structures of 4115872 via cif-deposit CGI script.	4115872.cif