Crystallography Open Database

Information card for entry 7014293

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Structure parameters

Formula	C28 H41 N5 Ni2 O6 S
Calculated formula	C28 H41 N5 Ni2 O6 S
Title of publication	The systematic generation of monodentate bridging ethanoates in dinuclear nickel(II) complexes of asymmetric compartmental ligands
Authors of publication	Adams, Harry; Clunas, Scott; Fenton, David E.; Spey, Sharon E.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	3
Pages of publication	441 - 448
a	10.7745 ± 0.0006 Å
b	30.6887 ± 0.0019 Å
c	10.1826 ± 0.0006 Å
α	90°
β	110.753 ± 0.001°
γ	90°
Cell volume	3148.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0931
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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