Crystallography Open Database

Information card for entry 7703057

Preview

Coordinates	7703057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-Butylpyridinium catena-mu2-cyanotri-mu2-iododicopper(I)
Formula	C19 H28 Cu2 I3 N3
Calculated formula	C19 H28 Cu2 I3 N3
Title of publication	Alkyl pyridinium iodocyanocuprate(i) chains (RPy)<sub>2</sub>[Cu<sub>2</sub>I<sub>3</sub>(CN)]: insight into structural, electronic and spectroscopic properties.
Authors of publication	Wells, Taylor C.; Streep, Michaela E.; Martucci, Abigail L.; Nicholas, Aaron D.; Pike, Robert D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	5
Pages of publication	1492 - 1500
a	14.8955 ± 0.0004 Å
b	8.8088 ± 0.0003 Å
c	20.4146 ± 0.0006 Å
α	90°
β	109.922 ± 0.001°
γ	90°
Cell volume	2518.33 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0827
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
248936 (current)	2020-03-05	cif/ Updating files of 7703057, 7703058, 7703059, 7703060 Original log message: Adding full bibliography for 7703057--7703060.cif.	7703057.cif
246294	2019-12-28	cif/ Adding structures of 7703057, 7703058, 7703059, 7703060 via cif-deposit CGI script.	7703057.cif