Crystallography Open Database

Information card for entry 7113708

Preview

Coordinates	7113708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H42 I13 N18 Ni2
Calculated formula	C48 H42 I13 N18 Ni2
Title of publication	Helical templating of polyiodide networks at a binuclear metallo complex
Authors of publication	Horn, Caitlin J.; Blake, Alexander J.; Champness, Neil R.; Garau, Alessandra; Lippolis, Vito; Wilson, Claire; Schröder, Martin
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	3
Pages of publication	312 - 313
a	13.429 ± 0.001 Å
b	15.266 ± 0.001 Å
c	18.172 ± 0.001 Å
α	79.363 ± 0.001°
β	86.971 ± 0.001°
γ	73.1 ± 0.001°
Cell volume	3503.3 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103971
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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