Crystallography Open Database

Information card for entry 7703093

Preview

Coordinates	7703093.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H67 Cl4 Cu4 N18 O4
Calculated formula	C76 H67 Cl4 Cu4 N18 O4
Title of publication	Influence of catalyst nuclearity on copper-catalyzed aerobic alcohol oxidation.
Authors of publication	Krittametaporn, Nuttaporn; Chantarojsiri, Teera; Virachotikul, Arnut; Phomphrai, Khamphee; Kuwamura, Naoto; Kojima, Tatsuhiro; Konno, Takumi; Sangtrirutnugul, Preeyanuch
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	3
Pages of publication	682 - 689
a	15.3627 ± 0.0007 Å
b	25.6099 ± 0.0013 Å
c	19.3806 ± 0.001 Å
α	90°
β	97.155 ± 0.002°
γ	90°
Cell volume	7565.7 ± 0.6 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115.37 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
247746 (current)	2020-02-04	cif/ Updating files of 7703093, 7703094, 7703095 Original log message: Adding full bibliography for 7703093--7703095.cif.	7703093.cif
246378	2020-01-01	cif/ Adding structures of 7703093, 7703094, 7703095 via cif-deposit CGI script.	7703093.cif