Crystallography Open Database

Information card for entry 7235970

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Coordinates	7235970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.2 H76.4 Cl2 N4 Ni4 O30
Calculated formula	C49.2 H72.8 Cl2 N4 Ni4 O30
Title of publication	Hydrolytically active tetranuclear [NiII2]2 complexes: synthesis, structure, spectroscopy and phosphoester hydrolysis
Authors of publication	Giri, Gopal C.; Patra, Ayan; Vijaykumar, Gonela; Carrella, Luca; Bera, Manindranath
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	120
Pages of publication	99270
a	17.6138 ± 0.0003 Å
b	17.4519 ± 0.0003 Å
c	19.6556 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6042 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0637
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1609
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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