Crystallography Open Database

Information card for entry 4321382

Preview

Coordinates	4321382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H31 Cl3 N6 Ni2 O
Calculated formula	C16 H31 Cl3 N6 Ni2 O
SMILES	[Ni]1234([Cl][Ni]567(Cl)[O]1c1c(cccc1C[N]5(CC[NH2]6)CC[NH2]7)C[N]2(CC[NH2]3)CC[NH2]4)Cl
Title of publication	Synthesis of a Flexible Ligand for Assembling Two Metal Ions in Close Proximity. Crystal Structures of Binuclear Nickel and Copper Complexes
Authors of publication	Paolo Dapporto; Mauro Formica; Vieri Fusi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4663 - 4665
a	11.142 ± 0.005 Å
b	10.307 ± 0.004 Å
c	18.692 ± 0.008 Å
α	90°
β	91.15 ± 0.03°
γ	90°
Cell volume	2146.2 ± 1.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0735
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1861
Weighted residual factors for all reflections included in the refinement	0.1974
Goodness-of-fit parameter for all reflections included in the refinement	0.743
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179316 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/13.	4321382.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321382.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321382.cif
18752	2011-05-04	../uploads/cif-deposit/cod/cif Adding structures of 4321382 via cif-deposit CGI script.	4321382.cif