Crystallography Open Database

Information card for entry 8104772

Preview

Coordinates	8104772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H45 Cl2 Cu3 N9 O6
Calculated formula	C47 H45 Cl2 Cu3 N9 O6
Title of publication	The crystal structure of bis(μ2-5-chloro-N-(2-methyl-1-oxidopropylidene)-2-oxidobenzohydrazonate-κ5 N,O,O′:N′,O′′)pentakis(pyridine-κ1 N)tricopper(II), C47H45Cl2N9Cu3O6
Authors of publication	Liguo, Yang; Chaoyang, Zhang; Kai, Wang; Shengxian, Zhai; Nana, Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	579 - 581
a	24.084 ± 0.009 Å
b	12.152 ± 0.005 Å
c	17.404 ± 0.007 Å
α	90°
β	109.984 ± 0.004°
γ	90°
Cell volume	4787 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0595
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
273732 (current)	2022-03-16	cif/ Adding structures of 8104772 via cif-deposit CGI script.	8104772.cif