Crystallography Open Database

Information card for entry 4349999

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Coordinates	4349999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H15 N3 O9 Zn
Calculated formula	C27 H15 N3 O9 Zn
Title of publication	Construction of bifunctional 2-fold interpenetrated Zn(ii) MOFs exhibiting selective CO2 adsorption and aqueous-phase sensing of 2,4,6-trinitrophenol
Authors of publication	Dhankhar, Sandeep Singh; Sharma, Nayuesh; Nagaraja, C. M.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	4
Pages of publication	1058
a	10.082 ± 0.005 Å
b	13.637 ± 0.005 Å
c	20.12 ± 0.005 Å
α	90 ± 0.005°
β	97.575 ± 0.005°
γ	90 ± 0.005°
Cell volume	2742.1 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0923
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.2297
Weighted residual factors for all reflections included in the refinement	0.2462
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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