Crystallography Open Database

Information card for entry 7235969

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Coordinates	7235969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H84 Br2 N4 Ni4 O25
Calculated formula	C50 H78 Br2 N4 Ni4 O25.0002
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	10.7231 ± 0.0014 Å
b	11.7791 ± 0.0016 Å
c	13.958 ± 0.0019 Å
α	109.907 ± 0.002°
β	93.565 ± 0.003°
γ	107.606 ± 0.003°
Cell volume	1553 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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