Crystallography Open Database

Information card for entry 4114021

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Coordinates	4114021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H123 Cs2 I2 N12 Ni6 O45.25
Calculated formula	C58 H88 Cs2 I2 N12 Ni6 O45.26
Title of publication	Cationic Assembly of Metal Complex Aggregates: Structural Diversity, Solution Stability, and Magnetic Properties
Authors of publication	Xiang Lin; Dan M. J. Doble; Alexander J. Blake; Andrew Harrison; Claire Wilson; Martin Schröder
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	9476 - 9483
a	15.821 ± 0.004 Å
b	20.344 ± 0.005 Å
c	30.792 ± 0.007 Å
α	90°
β	95.492 ± 0.005°
γ	90°
Cell volume	9865 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0963
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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