Crystallography Open Database

Information card for entry 8103082

Preview

Coordinates	8103082.cif

Structure parameters

Chemical name	monoaqua-bis((2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclo- hexylamino)methyl)benzoyloxy)nickel(II))
Formula	C48 H58 N8 Ni O6
Calculated formula	C48 H58 N8 Ni O6
Title of publication	Crystal structure of bis[2-((2-(4-(1H-imidazol-1-yl)benzylamino)cyclohexylamino)methyl)benzoato]nickel(II) dihydrate, Ni(C24H27N4O2)2 · 2H2O
Authors of publication	Daocheng Xia; Jihuan Yao; Shuang Han; Shaofei Song; Fulin Zhou; Baohua Lv; Cuijin Pei; Weibin Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	65
a	9.1579 ± 0.0004 Å
b	10.8716 ± 0.0005 Å
c	12.4645 ± 0.0006 Å
α	74.678 ± 0.004°
β	83.415 ± 0.004°
γ	67.395 ± 0.004°
Cell volume	1104.8 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0478
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0813
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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
176728 (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 8.	8103082.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103082.cif
28992	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103082 via cif-deposit CGI script.	8103082.cif