Crystallography Open Database

Information card for entry 2021659

2021658 << 2021659 >> 2021660

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Structure parameters

Chemical name	Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)diaqua[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)oxalamide-κ^2^<i>N</i>:<i>N</i>']zinc(II)] monohydrate]
Formula	C22 H22 Br3 N5 O9 Zn
Calculated formula	C22 H22 Br3 N5 O9 Zn
Title of publication	Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands
Authors of publication	Xu, Jie; Zhang, Kou-Lin
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2019
Journal volume	75
Journal issue	7
a	8.5083 ± 0.0005 Å
b	13.8444 ± 0.001 Å
c	22.496 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2649.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1097
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0788
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
215810 (current)	2019-06-11	cif/ hkl/ Adding structures of 2021658, 2021659 via cif-deposit CGI script.	2021659.cif 2021659.hkl