Crystallography Open Database

Information card for entry 7119894

7119893 << 7119894 >> 7119895

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Coordinates	7119894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H17 Cl N2 O3 Zn
Calculated formula	C12 H17 Cl N2 O3 Zn
Title of publication	Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.
Authors of publication	Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	26
Pages of publication	3705 - 3708
a	6.2031 ± 0.0002 Å
b	13.9957 ± 0.0006 Å
c	16.9125 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1468.29 ± 0.09 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	0.0458
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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