Crystallography Open Database

Information card for entry 4060622

Preview

Coordinates	4060622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Br2 N4 Ni
Calculated formula	C26 H28 Br2 N4 Ni
SMILES	c12ccccc2N(C(=[Ni](Br)(Br)=C2N(c3c(cccc3)N2CC=C)CC=C)N1CC=C)CC=C
Journal of publication	Organometallics
Year of publication	2006
a	10.4953 ± 0.0016 Å
b	9.7047 ± 0.0015 Å
c	12.7765 ± 0.0019 Å
α	90°
β	94.158 ± 0.003°
γ	90°
Cell volume	1297.9 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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