Crystallography Open Database

Information card for entry 7039210

Preview

Coordinates	7039210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 Br4 Cu4 N10
Calculated formula	C50 H70 Br4 Cu4 N10
SMILES	[Br]1[Cu]2(Br)([C]34[Cu]52=C2N6Cc7[n]5c(ccc7)CN3C=CN4CCCCCCCCCCCCN2C=C6)[Br][Cu]21(Br)[C]13[Cu]42=C2N5Cc6cccc(CN1C=CN3CCCCCCCCCCCCN2C=C5)[n]46
Title of publication	Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.
Authors of publication	Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	21
Pages of publication	8937 - 8944
a	8.2779 ± 0.0002 Å
b	10.9565 ± 0.0003 Å
c	15.7732 ± 0.0005 Å
α	100.004 ± 0.002°
β	96.75 ± 0.002°
γ	106.179 ± 0.002°
Cell volume	1332.04 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185435 (current)	2016-08-07	cif/ Updating files of 7039209, 7039210, 7039211, 7039212 Original log message: Adding full bibliography for 7039209--7039212.cif.	7039210.cif
182850	2016-05-10	cif/ Adding structures of 7039209, 7039210, 7039211, 7039212 via cif-deposit CGI script.	7039210.cif