Crystallography Open Database

Information card for entry 7242526

Preview

Coordinates	7242526.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bismuth 2-phenylisobutyrate
Formula	C38 H49 Bi O8
Calculated formula	C38 H49 Bi O8
SMILES	[Bi]123([O]=C(O1)C(c1ccccc1)(C)C)(OC(=[O]2)C(c1ccccc1)(C)C)(OC(=[O]3)C(c1ccccc1)(C)C)[O]1CCCC1.O1CCCC1
Title of publication	Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds
Authors of publication	Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	7
Pages of publication	2747 - 2755
a	12.5878 ± 0.0006 Å
b	12.6544 ± 0.0006 Å
c	13.1098 ± 0.0006 Å
α	106.319 ± 0.003°
β	105.558 ± 0.002°
γ	107.521 ± 0.003°
Cell volume	1763.44 ± 0.16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
264913 (current)	2021-05-05	cif/ Updating files of 7242526, 7242527, 7242528, 7242529, 7242530, 7242531 Original log message: Adding full bibliography for 7242526--7242531.cif.	7242526.cif
263345	2021-03-26	cif/ Adding structures of 7242526, 7242527, 7242528, 7242529, 7242530, 7242531 via cif-deposit CGI script.	7242526.cif