Crystallography Open Database

Information card for entry 4506029

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Coordinates	4506029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N2 Ni2 O10
Calculated formula	C38 H38 N2 Ni2 O10
Title of publication	Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups
Authors of publication	Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	4
Pages of publication	2089
a	11.44 ± 0.0011 Å
b	12.1709 ± 0.0013 Å
c	13.8131 ± 0.0015 Å
α	85.546 ± 0.002°
β	79.749 ± 0.001°
γ	65.731 ± 0.001°
Cell volume	1725.3 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0967
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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