Crystallography Open Database

Information card for entry 4348989

Preview

Coordinates	4348989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 B2 Cl4 Cu2 F8 N12
Calculated formula	C42 H44 B2 Cl4 Cu2 F8 N12
SMILES	[B](F)(F)(F)[F-].c12[Cu]c3c(c4c([n+](nn4C)Cc4ccccc4)[Cu]c4c(c1[n+](cn2Cc1ccccc1)C)n(n[n+]4Cc1ccccc1)C)n(n[n+]3Cc1ccccc1)C.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
Title of publication	Exploring potential cooperative effects in dicopper(i)-di-mesoionic carbene complexes: applications in click catalysis
Authors of publication	Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	1
Pages of publication	67
a	21.22 ± 0.004 Å
b	13.993 ± 0.003 Å
c	17.774 ± 0.003 Å
α	90°
β	111.151 ± 0.004°
γ	90°
Cell volume	4922.1 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
233529 (current)	2019-11-23	cif/ Adding structures of 4348987, 4348988, 4348989 via cif-deposit CGI script.	4348989.cif