Crystallography Open Database

Information card for entry 4309596

Preview

Coordinates	4309596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H74 Cl2 Cu2 N8 O3
Calculated formula	C46 H52 Cl2 Cu2 N8
Title of publication	Calix[4]pyrrole Schiff Base Macrocycles: Novel Binucleating Ligands for Cu(I) and Cu(II)
Authors of publication	Jacqueline M. Veauthier; Elisa Tomat; Vincent M. Lynch; Jonathan L. Sessler; Utkir Mirsaidov; John T. Markert
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6736 - 6743
a	24.239 ± 0.0006 Å
b	15.9732 ± 0.0004 Å
c	14.2036 ± 0.0004 Å
α	90°
β	98.937 ± 0.001°
γ	90°
Cell volume	5432.5 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.1366
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.415
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4309596.html