Crystallography Open Database

Information card for entry 7055766

Preview

Coordinates	7055766.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	H(bimcaC5)2HBr
Formula	C33 H42 Br2 N6
Calculated formula	C33 H42 Br2 N6
Title of publication	Optimised synthesis of monoanionic bis(NHC)-pincer ligand precursors and their Li-complexes
Authors of publication	Jürgens, Eva; Buys, Kai N.; Schmidt, Anna-Theresa; Furfari, Samantha K.; Cole, Marcus L.; Moser, Michael; Rominger, Frank; Kunz, Doris
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	11
Pages of publication	9160
a	20.2134 ± 0.0017 Å
b	14.5713 ± 0.0012 Å
c	25.883 ± 0.003 Å
α	90°
β	111.234 ± 0.002°
γ	90°
Cell volume	7105.9 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1224
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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