Crystallography Open Database

Information card for entry 7221846

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Coordinates	7221846.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Br2 Cu N4
Calculated formula	C32 H28 Br2 Cu N4
SMILES	c1ccccc1c1c(n(c[n]1[Cu](Br)(Br)[n]1cn(c(c1c1ccccc1)c1ccccc1)C)C)c1ccccc1
Title of publication	Supramolecular features in the engineering of 3d metal complexes with phenyl-substituted imidazoles as ligands: the case of copper(ii)
Authors of publication	Kounavi, Konstantina A.; Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	39
Pages of publication	7510
a	6.051 ± 0.0003 Å
b	7.5054 ± 0.0004 Å
c	15.6246 ± 0.0014 Å
α	102.512 ± 0.006°
β	96.5 ± 0.006°
γ	94.693 ± 0.005°
Cell volume	684.14 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0754
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
171025 (current)	2015-12-09	cif/ Updating files of 7221845, 7221846, 7221847, 7221848, 7221849, 7221850, 7221851, 7221852, 7221853, 7221854, 7221855 Original log message: Adding full bibliography for 7221845--7221855.cif.	7221846.cif
153565	2015-08-21	cif/ Adding structures of 7221845, 7221846, 7221847, 7221848, 7221849, 7221850, 7221851, 7221852, 7221853, 7221854, 7221855 via cif-deposit CGI script.	7221846.cif