Crystallography Open Database: Information card for 7000443

Structure parameters

Common name	(Na(THF)6)((HB(3,5-(CF3)2Tz)3)2Na)
Formula	C48 H50 B2 F36 N18 Na2 O6
Calculated formula	C48 H50 B2 F36 N18 Na2 O6
Title of publication	Sandwiched sodium and half-sandwiched copper carbonyl complexes featuring polyfluorinated tris(triazolyl)borate [HB(3,5-(CF3)2Tz)3]−
Authors of publication	Kou, Xiaodi; Wu, Jiang; Cundari, Thomas R.; Dias, H. V. Rasika
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	6
Pages of publication	915 - 917
a	11.0628 ± 0.0004 Å
b	12.1043 ± 0.0005 Å
c	14.7207 ± 0.0006 Å
α	77.688 ± 0.001°
β	78.63 ± 0.001°
γ	67.578 ± 0.001°
Cell volume	1765.58 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Hermann-Mauguin symmetry space group	P -1
Hall symmetry space group	-P 1
Residual factor for all reflections	0.052
Residual factor for observed reflections	0.0461
Weighted residual factors for the observed reflections	0.125
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for observed reflections	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Crystallography Open Database