Crystallography Open Database

Information card for entry 4326176

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Coordinates	4326176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 Br N3 Ni
Calculated formula	C15 H11 Br N3 Ni
SMILES	c1cc2[n]3[Ni](Br)([n]4ccccc24)[n]2ccccc2c3c1
Title of publication	Redox Trends in Terpyridine Nickel Complexes
Authors of publication	James T. Ciszewski; Dmitry Y. Mikhaylov; Kirill V. Holin; Marsil K. Kadirov; Yulia H. Budnikova; Oleg Sinyashin; David A. Vicic
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	8630 - 8635
a	10.32 ± 0.05 Å
b	14.44 ± 0.06 Å
c	9.26 ± 0.04 Å
α	90°
β	101.53 ± 0.06°
γ	90°
Cell volume	1352 ± 10 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1814
Residual factor for significantly intense reflections	0.1244
Weighted residual factors for significantly intense reflections	0.3026
Weighted residual factors for all reflections included in the refinement	0.3252
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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