Crystallography Open Database

Information card for entry 2010519

2010518 << 2010519 >> 2010520

Preview

Coordinates	2010519.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	trans-bis(1,2-Diaminobenzene-N)bis(1,1,1,5,5,5- hexafluoropentane-2,4-dionato-O,O')nickel(II)
Formula	C22 H18 F12 N4 Ni O4
Calculated formula	C22 H18 F12 N4 Ni O4
SMILES	C(C1=CC(=[O][Ni]2(O1)([NH2]c1c(cccc1)N)([NH2]c1c(cccc1)N)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)(F)F
Title of publication	Bis(1,2-diaminobenzene-<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-<i>O</i>,<i>O</i>')iron(II), -cobalt(II) and -nickel(II) at low temperature
Authors of publication	Dickman, Michael H.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	1
Pages of publication	58 - 60
a	7.7597 ± 0.0001 Å
b	10.9286 ± 0.0001 Å
c	15.3948 ± 0.0003 Å
α	90°
β	98.813 ± 0.001°
γ	90°
Cell volume	1290.11 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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