Crystallography Open Database

Information card for entry 7241696

Preview

Coordinates	7241696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Br2 Cu2 N11 O15.5
Calculated formula	C38 H40 Br2 Cu2 N11 O15.5
Title of publication	A multifunctional use of bis(methylene)bis(5-bromo-2-hydroxyl salicyloylhydrazone): from metal sensing to ambient catalysis of A3 coupling reactions
Authors of publication	Peewasan, Krisana; Merkel, Marcel P.; Fuhr, Olaf; Anson, Christopher E.; Powell, Annie K.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	67
Pages of publication	40739 - 40744
a	9.3905 ± 0.0004 Å
b	14.9547 ± 0.0006 Å
c	17.6271 ± 0.0006 Å
α	109.496 ± 0.003°
β	94.616 ± 0.003°
γ	99.025 ± 0.003°
Cell volume	2281.02 ± 0.16 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259596 (current)	2020-12-06	cif/ Adding structures of 7241696 via cif-deposit CGI script.	7241696.cif