Crystallography Open Database

Information card for entry 1551018

Preview

Coordinates	1551018.cif
Structure factors	1551018.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Carbonyl-2:3κ^2^<i>C</i>:<i>C</i>-octacarbonyl-1κ^3^<i>C</i>, 2κ<i>C</i>,3κ<i>C</i>,4κ^3^<i>C</i>-bis[1:2μ-(η^6^:η^5^);3:4μ-(η^5^:η^6^)-2-methylindenyl]-1,4-dichromium(0)-2,3-dirhodium(III)}(<i>Rh</i>—<i>Rh</i>)
Formula	C29 H18 Cr2 O9 Rh2
Calculated formula	C29 H18 Cr2 O9 Rh2
SMILES	[c]1234[cH]5[cH]6[cH]7[cH]8[c]91([cH]1[c]%10([cH]2[Rh]2491%10(C#[O])C(=O)[Rh]149%102([c]2%11%12[cH]%13[cH]%14[cH]%15[cH]%16[c]12([cH]4[c]9([cH]%10%11)C)[Cr]%12%13%14%15%16(C#[O])(C#[O])C#[O])C#[O])C)[Cr]35678(C#[O])(C#[O])C#[O]
Title of publication	μ-Carbonyl-bis(carbonyl{η^5^-[tricarbonyl(η^6^-2-methylindenyl)chromium(0)]rhodium(III)})(<i>Rh</i>—<i>Rh</i>)
Authors of publication	Werlé, Christophe; Bailly, Corinne; Karmazin, Lydia; Djukic, Jean-Pierre
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	5
Pages of publication	x190573
a	11.3335 ± 0.0002 Å
b	32.6839 ± 0.0009 Å
c	15.9743 ± 0.0004 Å
α	90°
β	105.876 ± 0.001°
γ	90°
Cell volume	5691.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1077
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
215044 (current)	2019-05-11	cif/ hkl/ Adding structures of 1551018 via cif-deposit CGI script.	1551018.cif 1551018.hkl