Crystallography Open Database

Information card for entry 4331513

Preview

Coordinates	4331513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H90 Ge6 O10 P4 Rh8
Calculated formula	C84 H90 Ge6 O10 P4 Rh8
SMILES	[Rh]12345([Rh]6789([Rh]%10%11%12%13([Rh]%14%151([Rh]1%16%17%18([Rh]%19%202([Rh]2%216([Rh]%101([Ge]9%122c1ccccc1)([Ge]%13%14%16c1ccccc1)([Ge]%18%20%21c1ccccc1)C#[O])([Ge]48%19c1ccccc1)([P](C)(C)c1ccccc1)C#[O])([Ge]5%15%17c1ccccc1)C#[O])([P](C)(C)c1ccccc1)C#[O])([Ge]37%11c1ccccc1)C#[O])([P](C)(C)c1ccccc1)C#[O])C#[O])([P](C)(C)c1ccccc1)C#[O].O1CCCC1.O1CCCC1
Title of publication	Rhodium Cluster Complexes Containing Bridging Phenylgermanium Ligands
Authors of publication	Adams, Richard D.; Smith, Jack L.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4276 - 4281
a	14.1643 ± 0.0015 Å
b	14.4768 ± 0.0015 Å
c	24.717 ± 0.003 Å
α	103.59 ± 0.002°
β	95.901 ± 0.002°
γ	104.608 ± 0.002°
Cell volume	4695.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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 all reflections	0.1141
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1993
Weighted residual factors for all reflections included in the refinement	0.2156
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
179418 (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 4/33/15.	4331513.cif
97672	2014-01-29	cif/ Adding structures of 4331513 via cif-deposit CGI script.	4331513.cif