Crystallography Open Database

Information card for entry 4349839

Preview

Coordinates	4349839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H60 Cl2 N8 O14 S2 Zn2
Calculated formula	C62 H60 Cl2 N8 O14 S2 Zn2
Title of publication	Towards oxalate-bridged iron(ii), cobalt(ii), nickel(ii) and zinc(ii) complexes through oxotris(oxalato)niobate(v): an open air non-oxidizing synthetic route
Authors of publication	Oliveira, Willian X. C.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	6
Pages of publication	1294
a	10.2879 ± 0.0006 Å
b	12.2402 ± 0.0011 Å
c	13.0862 ± 0.0011 Å
α	81.993 ± 0.007°
β	84.845 ± 0.006°
γ	71.976 ± 0.007°
Cell volume	1549.8 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1769
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236887 (current)	2019-11-24	cif/ Adding structures of 4349838, 4349839, 4349840, 4349841 via cif-deposit CGI script.	4349839.cif