Crystallography Open Database

Information card for entry 7701406

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Coordinates	7701406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H21 N3 O10 Ti
Calculated formula	C10 H21 N3 O10 Ti
Title of publication	Regioselective conversions of H4pdta (1,2-propanediaminetetraacetic acid) and H4eed3a to their triacetates on peroxotitanates
Authors of publication	Yang, Yu-chen; Liu, Qiong-Xin; Zhou, Zhao-Hui; Wan, Huilin
Journal of publication	Dalton Transactions
Year of publication	2019
a	7.9665 ± 0.0001 Å
b	30.139 ± 0.0003 Å
c	13.215 ± 0.0001 Å
α	90°
β	104.765 ± 0.001°
γ	90°
Cell volume	3068.18 ± 0.06 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/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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