Crystallography Open Database

Information card for entry 7111662

Preview

Coordinates	7111662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H176 N96 Ni16 O96
Calculated formula	C144 H112 N83 Ni16 O40
Title of publication	Unexpected Ni(ii) and Cu(ii) polynuclear assemblies—a balance between ligand and metal ion coordination preferences
Authors of publication	Shuvaev, Kontantin V.; Tandon, Santokh S.; Dawe, Louise N.; Thompson, Laurence K.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4755 - 4757
a	19.483 ± 0.006 Å
b	24.701 ± 0.008 Å
c	26.51 ± 0.009 Å
α	111.723 ± 0.006°
β	94.468 ± 0.006°
γ	97.249 ± 0.007°
Cell volume	11649 ± 7 Å³
Cell temperature	128 ± 2 K
Ambient diffraction temperature	128 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1609
Residual factor for significantly intense reflections	0.1299
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3785
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111662.cif
96720	2014-01-29	cif/ Adding structures of 7111660, 7111661, 7111662 via cif-deposit CGI script.	7111662.cif