Crystallography Open Database

Information card for entry 7133745

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Coordinates	7133745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H22 N2 O5 Zn
Calculated formula	C36 H22 N2 O5 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	19.7165 ± 0.0005 Å
b	7.9538 ± 0.0002 Å
c	17.5159 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2746.86 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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