Crystallography Open Database

Information card for entry 4305351

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Coordinates	4305351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 B Cu N9 O
Calculated formula	C24.5 H33 B Cu N9 O0.5
Title of publication	Cyanoscorpionates: Synthesis and Crystallographic Characterization of One-Dimensional Cu(I) Coordination Polymers
Authors of publication	Ningfeng Zhao; John C. Bullinger; Michael J. Van Stipdonk; Charlotte L. Stern; David M. Eichhorn
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5945 - 5950
a	27.3636 ± 0.0014 Å
b	14.7274 ± 0.0007 Å
c	17.3252 ± 0.0008 Å
α	90°
β	118.276 ± 0.002°
γ	90°
Cell volume	6148.8 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.1843
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.2005
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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