Crystallography Open Database

Information card for entry 4101232

Preview

Coordinates	4101232.cif

Structure parameters

Formula	C46 H82 Ni2 O2 P2
Calculated formula	C46 H82 Ni2 O2 P2
SMILES	[Ni]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)[O]=C(C)[CH]3[Ni]([P](C4CCCCC4)(C4CCCCC4)C4CCCCC4)([O]=C([CH]1=[CH]2C)C)[CH]=3C
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
a	10.0475 ± 0.0002 Å
b	12.3317 ± 0.0007 Å
c	20.1691 ± 0.0005 Å
α	72.591 ± 0.008°
β	89.716 ± 0.008°
γ	81.637 ± 0.003°
Cell volume	2357.2 ± 0.2 Å³
Cell temperature	273.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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