Crystallography Open Database

Information card for entry 7133744

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Coordinates	7133744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 N2 O4 S Zn
Calculated formula	C36 H22 N2 O4 S Zn
Title of publication	Modulating Photophysical Properties in a Flexible Porous Host by Regulating Guest-Assisted Charge Transfer Interactions
Authors of publication	Jena, Rohan; Rahimi, Faruk Ahamed; Das, Tarak Nath; Mondal, Soumya Kanti; Chauhan, Jatin; Maji, Tapas Kumar
Journal of publication	Chemical Communications
Year of publication	2024
a	7.9306 ± 0.0003 Å
b	17.5614 ± 0.0008 Å
c	20.1609 ± 0.0009 Å
α	90°
β	100.522 ± 0.002°
γ	90°
Cell volume	2760.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1325
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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