Crystallography Open Database

Information card for entry 4347789

Preview

Coordinates	4347789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H109 N9 O40 Pt40
Calculated formula	C104 H109 N9 O40 Pt40
SMILES	[Pt]123456789%10[Pt]%11%12%13%14%15%16%17%18%19[Pt]%20%21%22%23%24%25%26%27[Pt]%28%29%30%31%32%33%34%35%36[Pt]%37%38%39%40%41%42%43%44%20[Pt]%20%45%46%47%48%493%29[Pt]3%29%50%511%11%21%28[Pt]1%11%212%12([Pt]2%12%288([Pt]87([Pt]76%46([Pt]%49([Pt]6%46%35%42%47([Pt]%35%42%47%41([Pt]%41%49%22%31%37([Pt]%22%25([Pt]%25%18%26([Pt]%16([Pt]%17%11%12([Pt]%11%129%152([Pt]295%13%23%38%45([Pt]5%11([Pt]%11%392([Pt]%43%35(C%11=O)C#[O])C5=O)C#[O])[Pt]25%40([Pt]%129(C2=O)C#[O])[Pt]%44%47(C5=O)C#[O])C#[O])([Pt]2%19([Pt]5%14%24([Pt]%27%41(C#[O])C5=O)C2=O)C#[O])C#[O])(C#[O])C%25=O)C%22=O)C#[O])([Pt]25%33([Pt]9%32%29([Pt]%11%12%303([Pt]%501(C%12=O)C#[O])([Pt]%34([Pt]%36%46%42%492C#[O])(C#[O])C%11=O)[Pt]1%486([Pt]24%20([Pt]%10%28(C#[O])C2=O)C1=O)C#[O])([Pt]%51%21(C#[O])C9=O)C5=O)C#[O])C#[O])C#[O])C#[O])(C7=O)C#[O])C8=O)C#[O])C#[O])C#[O].[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](C)(C)(C)Cc1ccccc1.[N+](CC)(CC)(CC)CC.N#CC.N#CC.N#CC
Title of publication	Syntheses, Structures, and Electrochemistry of the Defective ccp [Pt33(CO)38](2-) and the bcc [Pt40(CO)40](6-) Molecular Nanoclusters.
Authors of publication	Cattabriga, Enrico; Ciabatti, Iacopo; Femoni, Cristina; Funaioli, Tiziana; Iapalucci, Maria Carmela; Zacchini, Stefano
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	6068 - 6079
a	15.778 ± 0.002 Å
b	16.481 ± 0.002 Å
c	28.555 ± 0.004 Å
α	81.061 ± 0.002°
β	81.175 ± 0.002°
γ	89.248 ± 0.002°
Cell volume	7247.9 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0816
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.1648
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
232502 (current)	2019-11-23	cif/ Adding structures of 4347789 via cif-deposit CGI script.	4347789.cif