Crystallography Open Database

Information card for entry 7708774

Preview

Coordinates	7708774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 Cu2 N8 O9
Calculated formula	C38 H36 Cu2 N8 O9
SMILES	[Cu]1(OC(=O)C)(OC(=O)C)([OH2])[n]2cc3n(cccc3)c2C(c2n3ccccc3c[n]12)C1c2n3c(c[n]2[Cu](OC(=O)C)(OC(=O)C)[n]2cc4n(cccc4)c12)cccc3
Title of publication	Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides
Authors of publication	Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei
Journal of publication	Dalton Transactions
Year of publication	2021
a	16.2048 ± 0.0005 Å
b	22.1257 ± 0.0006 Å
c	22.36 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	8017 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0921
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1653
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
270588 (current)	2021-11-11	cif/ Adding structures of 7708774, 7708775, 7708776, 7708777, 7708778, 7708779 via cif-deposit CGI script.	7708774.cif