Crystallography Open Database

Information card for entry 7209219

7209218 << 7209219 >> 7209220

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Coordinates	7209219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H29 N6 Ni O13 P2
Calculated formula	C16 H15 N6 Ni O13 P2
Title of publication	Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2
Authors of publication	Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2040
a	11.4102 ± 0.0009 Å
b	7.9586 ± 0.0006 Å
c	14.2631 ± 0.0011 Å
α	90°
β	95.548 ± 0.001°
γ	90°
Cell volume	1289.15 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0792
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2042
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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