Crystallography Open Database

Information card for entry 7125227

Preview

Coordinates	7125227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 Cl2 N4 Sn
Calculated formula	C26 H46 Cl2 N4 Sn
Title of publication	Cyclisation of biscarbenoids - a novel mode of cyclobutadiene stabilisation.
Authors of publication	Bertermann, Rüdiger; Braunschweig, Holger; Celik, Mehmet Ali; Dellermann, Theresa; Kelch, Hauke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	90
Pages of publication	13249 - 13252
a	10.291 ± 0.003 Å
b	21.844 ± 0.007 Å
c	12.742 ± 0.005 Å
α	90°
β	106.679 ± 0.018°
γ	90°
Cell volume	2743.8 ± 1.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0137
Residual factor for significantly intense reflections	0.0135
Weighted residual factors for significantly intense reflections	0.0344
Weighted residual factors for all reflections included in the refinement	0.0346
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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