Crystallography Open Database

Information card for entry 4334049

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Coordinates	4334049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H72 K N O4
Calculated formula	C44 H72 K N O4
Title of publication	Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands
Authors of publication	Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2678 - 2683
a	13.5608 ± 0.0012 Å
b	19.2945 ± 0.0017 Å
c	17.8802 ± 0.0016 Å
α	90°
β	110.219 ± 0.002°
γ	90°
Cell volume	4390 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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