Crystallography Open Database

Information card for entry 1512824

Preview

Coordinates	1512824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N6 Ni3 O10 S2
Calculated formula	C36 H44 N6 Ni3 O10 S2
SMILES	[Ni]12345[S]6CC[NH]4Cc4c([O]1[Ni]17([O]8[Ni]9%10%11([S](CC[NH]%10Cc%10c8cccc%10)CC[NH]%11Cc8ccccc8[O]19)ON(=[O]7)=O)([O]2c1c(C[NH]5CC6)cccc1)ON(=[O]3)=O)cccc4
Title of publication	Polynuclear nickel(II) complexes with salicylaldimine derivative ligands
Authors of publication	Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	394
Pages of publication	741 - 746
a	11.573 ± 0.004 Å
b	18.768 ± 0.006 Å
c	10.027 ± 0.003 Å
α	90°
β	111.141 ± 0.006°
γ	90°
Cell volume	2031.3 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0997
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512824.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512824.cif
90968	2013-11-21	cif/ Adding structures of 1512824 via cif-deposit CGI script.	1512824.cif