Crystallography Open Database

Information card for entry 7205243

7205242 << 7205243 >> 7205244

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Coordinates	7205243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H47 N4 Ni2 O9 S4
Calculated formula	C46 H47 N4 Ni2 O9 S4
Title of publication	Two unusual (4,6)- and 8-connected metal‒organic frameworks constructed from flexible 1,4-benzenebis(thioacetic acid) and pyridine-based ligands
Authors of publication	Wang, Xiao-Juan; Zhan, Cai-Hong; Feng, Yun-Long; Lan, You-Zhao; Yin, Jian-Ling; Cheng, Jian-Wen
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	2
Pages of publication	684
a	13.4203 ± 0.0003 Å
b	7.9925 ± 0.0001 Å
c	21.9329 ± 0.0004 Å
α	90°
β	98.726 ± 0.001°
γ	90°
Cell volume	2325.33 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1508
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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