Crystallography Open Database

Information card for entry 4062714

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Coordinates	4062714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H84 Ba2 N8
Calculated formula	C44 H84 Ba2 N8
SMILES	[Ba]123([N](=C(C)C=C(N1C(C)C)C)C(C)C)[N]1(=C(C)C=C([N]3([Ba]31([N](=C(C)C=C(N3C(C)C)C)C(C)C)[N](=C(C=C(N2C(C)C)C)C)C(C)C)C(C)C)C)C(C)C
Journal of publication	Organometallics
Year of publication	2004
a	20.42 ± 0.004 Å
b	11.201 ± 0.002 Å
c	23.645 ± 0.005 Å
α	90°
β	107.347 ± 0.004°
γ	90°
Cell volume	5162.3 ± 1.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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