Crystallography Open Database

Information card for entry 7243752

Preview

Coordinates	7243752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Cu N6 O8
Calculated formula	C40 H48 Cu N6 O8
Title of publication	Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure
Authors of publication	Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	46
Pages of publication	8139 - 8149
a	5.7835 ± 0.0005 Å
b	16.051 ± 0.0015 Å
c	21.5072 ± 0.0017 Å
α	90°
β	94.365 ± 0.002°
γ	90°
Cell volume	1990.7 ± 0.3 Å³
Cell temperature	150.01 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	5
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	0.0622
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
271179 (current)	2021-12-07	cif/ Updating files of 7243752 Original log message: Adding full bibliography for 7243752.cif.	7243752.cif
270034	2021-10-20	cif/ Adding structures of 7243752 via cif-deposit CGI script.	7243752.cif