Crystallography Open Database

Information card for entry 7249519

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Coordinates	7249519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cd N7 O11 S
Calculated formula	C32 H22 Cd N5 O9 S
Title of publication	Sulfur-hinged L-shaped ligand-based Cd(II)-organic framework: A fluorescent tool for targeting environmental nitroaromatics†
Authors of publication	Kumar, Girijesh; Rani, Nitu; Bhasin, Aman K.; Husain, Ahmad; Kumari, Annu; Verma, Reshu; Bhasin, K.k
Journal of publication	CrystEngComm
Year of publication	2024
a	37.8579 ± 0.0008 Å
b	9.9633 ± 0.0001 Å
c	28.307 ± 0.0006 Å
α	90°
β	109.014 ± 0.002°
γ	90°
Cell volume	10094.6 ± 0.3 Å³
Cell temperature	220 ± 80 K
Ambient diffraction temperature	220 ± 80 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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