Crystallography Open Database

Information card for entry 5000332

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Coordinates	5000332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 B K N4 O3
Calculated formula	C42 H68 B K N4 O3
Title of publication	Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior
Authors of publication	Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	6
Pages of publication	393 - 398
a	12.445 ± 0.005 Å
b	17.492 ± 0.007 Å
c	11.194 ± 0.004 Å
α	93.05 ± 0.02°
β	115.304 ± 0.019°
γ	69.3 ± 0.02°
Cell volume	2046.9 ± 1.5 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.8758
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7051233
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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