Crystallography Open Database

Information card for entry 1570077

Preview

Coordinates	1570077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H19 Cl N2 O4 Zn
Calculated formula	C30 H19 Cl N2 O4 Zn
Title of publication	Noncovalent interaction guided selectivity of haloaromatic isomers in a flexible porous coordination polymer.
Authors of publication	Jena, Rohan; Laha, Subhajit; Dwarkanath, Nimish; Hazra, Arpan; Haldar, Ritesh; Balasubramanian, Sundaram; Maji, Tapas Kumar
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	43
Pages of publication	12321 - 12330
a	7.7774 ± 0.0002 Å
b	19.6561 ± 0.0005 Å
c	16.5227 ± 0.0004 Å
α	90°
β	91.553 ± 0.001°
γ	90°
Cell volume	2524.95 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0575
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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