Crystallography Open Database

Information card for entry 7055253

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Coordinates	7055253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H45 N7 Ni2 O4 S2
Calculated formula	C28 H45 N7 Ni2 O4 S2
Title of publication	Dinuclear nickel complexes of divergent Ni⋯Ni separation showing ancillary ligand addition and bio-macromolecular interaction
Authors of publication	Mahapatra, Tufan Singha; Chaudhury, Susmitnarayan; Dasgupta, Swagata; Bertolasi, Valerio; Ray, Debashis
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	3
Pages of publication	2268
a	17.461 ± 0.003 Å
b	67.604 ± 0.009 Å
c	12.0678 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	14245 ± 4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.1745
Residual factor for significantly intense reflections	0.0874
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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