Crystallography Open Database

Information card for entry 4104041

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Coordinates	4104041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C174 H242 K2 O28 Ta4
Calculated formula	C174 H242 K2 O28 Ta4
Title of publication	Reductive Coupling of Six Carbon Monoxides by a Ditantalum Hydride Complex
Authors of publication	Takahito Watanabe; Yutaka Ishida; Tsukasa Matsuo; Hiroyuki Kawaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	3474 - 3475
a	17.66 ± 0.006 Å
b	26.919 ± 0.008 Å
c	18.596 ± 0.006 Å
α	90°
β	105.08 ± 0.005°
γ	90°
Cell volume	8536 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.1003
Weighted residual factors for significantly intense reflections	0.1868
Weighted residual factors for all reflections included in the refinement	0.1975
Goodness-of-fit parameter for all reflections included in the refinement	1.261
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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