Crystallography Open Database

Information card for entry 1100970

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Coordinates	1100970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 N O5 Sn
Calculated formula	C7 H15 N O5 Sn
SMILES	[Sn]12(C)(C)([NH](CC(=O)O1)CC(=O)O2)[OH]C
Title of publication	Synthesis and Spectroscopic and X-ray Structural Characterization of R2SnIV-Oxydiacetate and -Iminodiacetate Complexes
Authors of publication	Corrado Di Nicola; Agustin Galindo; John V. Hanna; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Eleonora Rivarola; Brian W. Skelton; Allan H. White
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3094 - 3102
a	10.6103 ± 0.0007 Å
b	6.7816 ± 0.0005 Å
c	15.501 ± 0.001 Å
α	90°
β	107.231 ± 0.001°
γ	90°
Cell volume	1065.31 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 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	0.044
Residual factor for significantly intense reflections	0.034
Weighted residual factors for all reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections	1.1
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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