Crystallography Open Database

Information card for entry 4326875

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Coordinates	4326875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H22 B N5
Calculated formula	C13 H23 B N5
Title of publication	Application of Ionic Liquids Containing Tricyanomethanide [C(CN)3]- or Tetracyanoborate [B(CN)4]- Anions in Dye-Sensitized Solar Cells
Authors of publication	Magdalena Marszalek; Zhaofu Fei; Dun-Ru Zhu; Rosario Scopelliti; Paul J. Dyson; Shaik Mohammed Zakeeruddin; Michael Grätzel
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11561 - 11567
a	11.9402 ± 0.0009 Å
b	11.9402 ± 0.0009 Å
c	5.5735 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	794.6 ± 0.18 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	4
Space group number	113
Hermann-Mauguin space group symbol	P -4 21 m
Hall space group symbol	P -4 2ab
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1175
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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