Crystallography Open Database

Information card for entry 2202477

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Structure parameters

Chemical name	[2,9-bis(cyclooctane-1,5-diyl)-4,6,11,13-tetraethyl-1,3,8,10-tetraoxa- 4,7,11,14-tetraaza-2,9-diboracyclotetradecane-4,6,11,13-tetraene- κ^4^N]nickel(II)
Formula	C28 H48 B2 N4 Ni O4
Calculated formula	C28 H48 B2 N4 Ni O4
SMILES	C1(C(CC)=[N]2[Ni]34[N]=1O[B]1(C5CCCC1CCC5)O[N]4=C(C(CC)=[N]3O[B]1(C3CCCC1CCC3)O2)CC)CC
Title of publication	Bis-BBN (9-borabicyclo[3.3.1]nonane) adduct of bis(diethylglyoximato)nickel(II)
Authors of publication	Krivokapić, Alexander; Faiz, Jonathan A.; Anderson, Harry L.
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	m748 - m749
a	7.4047 ± 0.0001 Å
b	19.2467 ± 0.0002 Å
c	10.5508 ± 0.0002 Å
α	90°
β	94.7398 ± 0.0005°
γ	90°
Cell volume	1498.52 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for all reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0314
Weighted residual factors for all reflections included in the refinement	0.0314
Goodness-of-fit parameter for all reflections included in the refinement	1.0376
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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