Crystallography Open Database

Information card for entry 4336956

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Coordinates	4336956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 F12 N4 Ni4 O17
Calculated formula	C38 H44 F12 N4 Ni4 O17
Title of publication	Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures
Authors of publication	Aloke Kumar Ghosh; Michael Shatruk; Valerio Bertolasi; Kausikisankar Pramanik; Debashis Ray
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13894 - 13903
a	17.8961 ± 0.0013 Å
b	14.1222 ± 0.001 Å
c	20.306 ± 0.0015 Å
α	90°
β	97.953 ± 0.0018°
γ	90°
Cell volume	5082.6 ± 0.6 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.1178
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.1792
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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