Crystallography Open Database

Information card for entry 4104474

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Coordinates	4104474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.1 H47.49 Cl8.19 Co4 N16
Calculated formula	C56.0853 H47.4667 Cl8.17067 Co4 N16
Title of publication	Effects of Weak Intermolecular Interactions on the Molecular Isomerism of Tricobalt Metal Chains
Authors of publication	Rasmus D. Poulsen; Jacob Overgaard; Alexander Schulman; Christina Østergaard; Carlos A. Murillo; Mark A. Spackman; Bo B. Iversen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7580 - 7591
a	27.2473 ± 0.0003 Å
b	27.2473 ± 0.0003 Å
c	12.257 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	9099.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.643 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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