Crystallography Open Database

Information card for entry 7132898

Preview

Coordinates	7132898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H57 N2 O4 Sb
Calculated formula	C46 H57 N2 O4 Sb
SMILES	[Sb]123(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)c4[n]3c(=C(c3n2c(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc3)c1c(cc(cc1C)C)C)cc4)(O)O
Title of publication	Synthesis and optical properties of antimony(V) complexes of a trianionic N<sub>2</sub>O<sub>2</sub>-type tetradentate dipyrrin ligand.
Authors of publication	Agou, Tomohiro; Kuroiwa, Shunsuke; Fukumoto, Hiroki; Nabeshima, Tatsuya
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	34
Pages of publication	4557 - 4560
a	28.4574 ± 0.0005 Å
b	27.9101 ± 0.0004 Å
c	32.3437 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	25688.9 ± 0.8 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
291554 (current)	2024-05-05	cif/ Updating files of 7132896, 7132897, 7132898 Original log message: Adding full bibliography for 7132896--7132898.cif.	7132898.cif
290646	2024-03-27	cif/ Adding structures of 7132896, 7132897, 7132898 via cif-deposit CGI script.	7132898.cif