Crystallography Open Database

Information card for entry 7057715

Preview

Coordinates	7057715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H65 N5 Ni4 O24
Calculated formula	C40 H62 N5 Ni4 O24
Title of publication	Anion coordination directed synthesis patterns for [Ni4] aggregates: structural changes for thiocyanate coordination and ligand arm hydrolysis
Authors of publication	Das, Manisha; Herchel, Radovan; Trávníček, Zdeněk; Bertolasi, Valerio; Ray, Debashis
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	20
Pages of publication	16717
a	11.6627 ± 0.0006 Å
b	12.5163 ± 0.0006 Å
c	19.642 ± 0.0009 Å
α	92.698 ± 0.001°
β	96.2 ± 0.001°
γ	90.09 ± 0.001°
Cell volume	2847.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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