Crystallography Open Database

Information card for entry 4119356

4119355 << 4119356 >> 4119357

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Coordinates	4119356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C430 H422 Cl20 N64 Ni10 O84
Calculated formula	C398 H342 Cl15 N64 Ni10 O56
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	21.568 ± 0.008 Å
b	30.857 ± 0.011 Å
c	34.26 ± 0.012 Å
α	90°
β	97.353 ± 0.006°
γ	90°
Cell volume	22613 ± 14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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 all reflections	0.2399
Residual factor for significantly intense reflections	0.1497
Weighted residual factors for significantly intense reflections	0.3666
Weighted residual factors for all reflections included in the refinement	0.4101
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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