Crystallography Open Database

Information card for entry 4504498

Preview

Coordinates	4504498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H128 Cl10 Cu6 N20 O69
Calculated formula	C76 H72 Cl10 Cu6 N20 O69
Title of publication	Syntheses, Structure, and Properties of the Metal Complexes with 3-(2-Pyridyl)pyrazole-Based Ligands: Tuning the Complex Structures by Ligand Modifications
Authors of publication	Zou, Ru-Qiang; Liu, Chun-Sen; Huang, Zheng; Hu, Tong-Liang; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	1
Pages of publication	99
a	32.067 ± 0.012 Å
b	25.61 ± 0.009 Å
c	17.498 ± 0.007 Å
α	90°
β	115.187 ± 0.006°
γ	90°
Cell volume	13004 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.2143
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2788
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4504498.html