Crystallography Open Database

Information card for entry 4328973

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Coordinates	4328973.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H8 N Ni O5.5 S
Calculated formula	C5 H7 N Ni O5.5 S
Title of publication	Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone
Authors of publication	Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4784 - 4790
a	12.2986 ± 0.0017 Å
b	12.2986 ± 0.0017 Å
c	5.2444 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	793.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0551
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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