Crystallography Open Database

Information card for entry 2004751

2004750 << 2004751 >> 2004752

Preview

Coordinates	2004751.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(tert-butyl acetoacetato)aquocopper(II)
Formula	C16 H28 Cu O7
Calculated formula	C16 H28 Cu O7
Title of publication	Low-Temperature Structure of Two Copper-Based Precursors for MOCVD: Aquabis(<i>tert</i>-butyl acetoacetato)copper(II) and Bis(dipivaloylmethanido)copper(II)
Authors of publication	Patnaik, S.; Guru Row, T. N.; Raghunathan, L.; Devi, A.; Goswami, J.; Shivashankar, S. A.; Chandrasekaran, S.; Robinson, W. T.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	4
Pages of publication	891 - 894
a	9.558 ± 0.002 Å
b	20.676 ± 0.004 Å
c	9.591 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1895.4 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for all reflections	0.1086
Weighted residual factors for significantly intense reflections	0.0924
Goodness-of-fit parameter for all reflections	1.015
Goodness-of-fit parameter for significantly intense reflections	0.985
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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