Crystallography Open Database

Information card for entry 1565617

Preview

Coordinates	1565617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H23 N4 Sb
Calculated formula	C37 H23 N4 Sb
SMILES	[Sb]123[n]4c5C(=c6n1c(=C(c1ccccc1)c1n2c(c2n3c(C(=c4cc5)c3ccccc3)cc2)cc1)cc6)c1ccccc1
Title of publication	Synthesis and characterization of antimony(V)-oxo corrole complexes
Authors of publication	Mondal, Sruti; Garai, Antara; Naik, Pratyush Kumar; Adha, Jogesh Kumar; Kar, Sanjib
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	501
Pages of publication	119300
a	10.8994 ± 0.0004 Å
b	11.3461 ± 0.0005 Å
c	12.0068 ± 0.0005 Å
α	76.495 ± 0.003°
β	79.268 ± 0.003°
γ	84.733 ± 0.003°
Cell volume	1416.7 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0886
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1213
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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