Crystallography Open Database

Information card for entry 2013003

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Structure parameters

Chemical name	bis(μ-methyliminodiethanolato-1κ^3^O,N,O';1:2κ^2^O)(methyliminodiethanolato- 2κ^3^O,N,O')dipropanolato-1κO,2κO-titanium(IV)zirconium(IV)
Formula	C21 H47 N3 O8 Ti Zr
Calculated formula	C21.006 H44.186 N3 O8 Ti Zr
Title of publication	A novel titanium‒μ-O‒zirconium complex: bis(μ-methyliminodiethanolato-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>';1:2κ^2^<i>O</i>)(methyliminodiethanolato-2κ^3^<i>O</i>,<i>N</i>,<i>O</i>')dipropanolato-1κ<i>O</i>,2κ<i>O</i>-titanium(IV)zirconium(IV)
Authors of publication	Gainsford, Graeme J.; Al-Salim, Najeh; Kemmitt, Tim
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	10
Pages of publication	m509 - m510
a	31.172 ± 0.01 Å
b	10.407 ± 0.003 Å
c	19.116 ± 0.006 Å
α	90°
β	116.002 ± 0.003°
γ	90°
Cell volume	5574 ± 3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
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	0.072
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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