Crystallography Open Database

Information card for entry 4330414

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Coordinates	4330414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N4 Ni O6 S
Calculated formula	C28 H22 N4 Ni O6 S
Title of publication	Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors
Authors of publication	Kamal Kumar Bisht; Eringathodi Suresh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9577 - 9579
a	12.252 ± 0.004 Å
b	22.16 ± 0.009 Å
c	23.571 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	6400 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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