Crystallography Open Database

Information card for entry 4339835

Preview

Coordinates	4339835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H60 N3 O37 Rh17
Calculated formula	C61 H60 N3 O37 Rh17
SMILES	[Rh]12345([Rh]6789([Rh]%10%11%121([Rh]1%132([Rh]236([Rh]367%101([Rh]17%10%14%15([Rh]%16%17%18%19%20%21%22%23[Rh]%24%25%26%27%28([Rh]%29%30%31%32%17([Rh]%17%33%341%16([Rh]1%16%35%36%37%10%20([Rh]%10%207%18([Rh]7%18%38%19%24([Rh]%19%21%25%291([Rh]%30%17%16(C%36=O)(C%32=O)(C#[O])C%34=O)([Rh]%35%107(C%37=O)(C%18=O)(C%19=O)C#[O])(C#[O])[C]%27%38=O)([C]%23%26=O)(C%20=O)C#[O])(C#[O])C%15=O)[C]%14%33=O)([C]%22%31=O)C#[O])(C#[O])C%28=O)C#[O])(C3=O)C6=O)([C]8%11=O)[C]%132=O)([C]49=O)(C#[O])C#[O])(C#[O])(C#[O])[C]5%12=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
Title of publication	Synthesis and electrochemistry of new Rh-centered and conjuncto rhodium carbonyl clusters. X-ray structure of [NEt(4)](3)[Rh(15)(CO)(27)], [NEt(4)](3)[Rh(15)(CO)(25)(MeCN)(2)] x 2MeCN, and [NEt(4)](3)[Rh(17)(CO)(37)].
Authors of publication	Collini, Davide; Biani, Fabrizia Fabrizi De; Fedi, Serena; Femoni, Cristina; Kaswalder, Francesco; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Zanello, Piero
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7971 - 7981
a	24.4555 ± 0.0015 Å
b	13.8637 ± 0.0015 Å
c	26.961 ± 0.003 Å
α	90°
β	109.257 ± 0.002°
γ	90°
Cell volume	8629.5 ± 1.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1428
Residual factor for significantly intense reflections	0.1083
Weighted residual factors for significantly intense reflections	0.2294
Weighted residual factors for all reflections included in the refinement	0.2491
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339835.cif
117567	2014-06-15	cif/ Adding structures of 4339833, 4339834, 4339835 via cif-deposit CGI script.	4339835.cif