Crystallography Open Database

Information card for entry 4119355

4119354 << 4119355 >> 4119356

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Coordinates	4119355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C272 H284 F36 N40 Ni6 O42 S12
Calculated formula	C219 H176 F33 N32 Ni6 O33 S11
Title of publication	Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates
Authors of publication	Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2723 - 2733
a	21.912 ± 0.0002 Å
b	21.912 ± 0.0002 Å
c	54.056 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	22477 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	181
Hermann-Mauguin space group symbol	P 64 2 2
Hall space group symbol	P 64 2 (0 0 2)
Residual factor for all reflections	0.1258
Residual factor for significantly intense reflections	0.1208
Weighted residual factors for significantly intense reflections	0.3155
Weighted residual factors for all reflections included in the refinement	0.3205
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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