Crystallography Open Database

Information card for entry 4119357

4119356 << 4119357 >> 4119358

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Coordinates	4119357.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C420 H400 Cl20 N70 Ni10 O86
Calculated formula	C360 H270 Cl12 N60 Ni10 O44
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	35.73 ± 0.0017 Å
b	29.1212 ± 0.0015 Å
c	41.6634 ± 0.0019 Å
α	90°
β	93.174 ± 0.002°
γ	90°
Cell volume	43284 ± 4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1943
Residual factor for significantly intense reflections	0.1477
Weighted residual factors for significantly intense reflections	0.3702
Weighted residual factors for all reflections included in the refinement	0.3952
Goodness-of-fit parameter for all reflections included in the refinement	1.334
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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