Crystallography Open Database

Information card for entry 1562313

Preview

Coordinates	1562313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Co2 N8 Na2 O14
Calculated formula	C38 H42 Co2 N8 Na2 O14
SMILES	C1=[O][Co]23([O]4c5c(cccc5[O]5C)C=[O]2)([N]2(=N#N)[Co]67([N]38=N#N)([O]3c9c(cccc9[O]9C)C=[O]6)[O]6c%10c(cccc%10[O]([Na]4568[O]=CN(C)C)C)C=[O]7)[O]4c5c1cccc5[O](C)[Na]2349([O]=CN(C)C)
Title of publication	Structural variation from heterometallic cluster-based 1D chain to heterometallic tetranuclear cluster: Syntheses, structures and magnetic properties
Authors of publication	Zhang, Shu-Hua; Zhao, Ru-Xia; Li, He-Ping; Ge, Cheng-Min; Li, Gui; Huang, Qiu-Ping; Zou, Hua-Hong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	216
Pages of publication	30 - 35
a	10.897 ± 0.0005 Å
b	10.8099 ± 0.0005 Å
c	19.2672 ± 0.0008 Å
α	90°
β	103.146 ± 0.001°
γ	90°
Cell volume	2210.11 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
264721 (current)	2021-04-30	cif/ Adding structures of 1562312, 1562313 via cif-deposit CGI script.	1562313.cif