Crystallography Open Database

Information card for entry 2008524

2008523 << 2008524 >> 2008525

Preview

Coordinates	2008524.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Cis-(Nitrato-O,O')(C-rac-1,5,8,12-tetramethyl-1,4,8,11- tetraazacyclotetradecane-N,N',N'',N''')nickel(II) Nitrate
Formula	C14 H32 N6 Ni O6
Calculated formula	C14 H32 N6 Ni O6
SMILES	C1C[NH]2[C@@H](CC[N]3([Ni]452([N]1(C)CC[C@@H](C)[NH]4CC3)ON(=O)=[O]5)C)C.N(=O)(=O)[O-].C1C[NH]2[C@H](CC[N]3([Ni]452([N]1(C)CC[C@H](C)[NH]4CC3)ON(=O)=[O]5)C)C.N(=O)(=O)[O-]
Title of publication	<i>cis</i>-(Nitrato-<i>O</i>,<i>O</i>')[(1<i>RS</i>,4<i>SR</i>,5<i>SR</i>,8<i>RS</i>,11<i>SR</i>,12<i>SR</i>)-<i>C</i>-<i>rac</i>-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>]nickel(II) nitrate
Authors of publication	Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	5
Pages of publication	724 - 726
a	10.399 ± 0.003 Å
b	14.467 ± 0.005 Å
c	14.216 ± 0.006 Å
α	90°
β	104.27 ± 0.03°
γ	90°
Cell volume	2072.7 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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