Crystallography Open Database

Information card for entry 7112298

Preview

Coordinates	7112298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H31 Cl2 N5 Ni O9
Calculated formula	C13 H31 Cl2 N5 Ni O9
SMILES	C1N(C[NH]2CC[NH]3CCC[NH]4CC[NH]1[Ni]234)C(CO)CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	An unprecedented dynamic porous metal-organic framework assembled from fivefold interlocked closed nanotubes with selective gas adsorption behaviors.
Authors of publication	Ju, Ping; Jiang, Long; Lu, Tong-Bu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	18
Pages of publication	1820 - 1822
a	8.2272 ± 0.0011 Å
b	16.486 ± 0.002 Å
c	15.625 ± 0.002 Å
α	90°
β	93.407 ± 0.002°
γ	90°
Cell volume	2115.5 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0619
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7108884
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.