Crystallography Open Database

Information card for entry 7054973

Preview

Coordinates	7054973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 Br N3 O
Calculated formula	C19 H13 Br N3 O
SMILES	Brc1ccc(N=Nc2cc(/C=N/c3ccccc3)c(O)cc2)cc1
Title of publication	Chemical fixation of CO2into cyclic carbonates by azo-containing Schiff base metal complexes
Authors of publication	İkiz, Mesut; İspir, Esin; Aytar, Emine; Ulusoy, Mahmut; Karabuğa, Şemistan; Aslantaş, Mehmet; Çelik, Ömer
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7786
a	37.484 ± 0.0011 Å
b	7.0935 ± 0.0002 Å
c	6.2089 ± 0.0002 Å
α	90°
β	97.497 ± 0.002°
γ	90°
Cell volume	1636.79 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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