Crystallography Open Database

Information card for entry 7715301

Preview

Coordinates	7715301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 O4 Rh2
Calculated formula	C36 H22 O4 Rh2
SMILES	[c]12([cH]3[c]4([c]567[c]891[c]1([cH]%10[c]5(c5ccccc5)[Rh]791%10(C#[O])(C#[O])[Rh]23468(C#[O])C#[O])c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Twinned <i>versus</i> linked organometallics - bimetallic "half-baguette" pentalenide complexes of Rh(I).
Authors of publication	Sanderson, Hugh J.; Kociok-Köhn, Gabriele; McMullin, Claire L.; Hintermair, Ulrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	13
Pages of publication	5881 - 5899
a	12.7037 ± 0.0002 Å
b	10.34448 ± 0.00016 Å
c	22.6879 ± 0.0004 Å
α	90°
β	103.76 ± 0.0016°
γ	90°
Cell volume	2895.92 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0509
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
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
290929 (current)	2024-04-05	cif/ Updating files of 7715294, 7715295, 7715296, 7715297, 7715298, 7715299, 7715300, 7715301, 7715302, 7715303 Original log message: Adding full bibliography for 7715294--7715303.cif.	7715301.cif
290004	2024-02-29	cif/ Adding structures of 7715294, 7715295, 7715296, 7715297, 7715298, 7715299, 7715300, 7715301, 7715302, 7715303 via cif-deposit CGI script.	7715301.cif