Crystallography Open Database

Information card for entry 7109604

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Coordinates	7109604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H90 N6
Calculated formula	C75 H90 N6
Title of publication	Planar tris-N-heterocyclic carbenes
Authors of publication	Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	7258
a	8.4291 ± 0.0003 Å
b	33.6359 ± 0.0011 Å
c	11.6153 ± 0.0003 Å
α	90°
β	93.9449 ± 0.001°
γ	90°
Cell volume	3285.37 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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