Crystallography Open Database

Information card for entry 7000683

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Coordinates	7000683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Ho2 N2 O16
Calculated formula	C12 H12 Ho2 N2 O16
Title of publication	In situ cyclodehydration of iminodiacetic acid into 2,5-diketopiperazine-1,4-diacetate in lanthanide-based coordination polymers
Authors of publication	Kong, Xiang-Jian; Zhuang, Gui-Lin; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	10
Pages of publication	1707 - 1709
a	6.6964 ± 0.0015 Å
b	7.7827 ± 0.0018 Å
c	9.126 ± 0.002 Å
α	95.692 ± 0.004°
β	110.274 ± 0.003°
γ	93.543 ± 0.004°
Cell volume	441.58 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0206
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0521
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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