Crystallography Open Database

Information card for entry 7238058

Preview

Coordinates	7238058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 Cd I2 N2
Calculated formula	C34 H26 Cd I2 N2
Title of publication	Selective detection of trinitrophenol by a Cd(ii)-based coordination compound
Authors of publication	Dutta, Basudeb; Purkait, Rakesh; Bhunia, Suprava; Khan, Samim; Sinha, Chittaranjan; Mir, Mohammad Hedayetullah
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	66
Pages of publication	38718
a	28.4498 ± 0.0019 Å
b	7.439 ± 0.0005 Å
c	17.7851 ± 0.0012 Å
α	90°
β	125.191 ± 0.002°
γ	90°
Cell volume	3076.1 ± 0.4 Å³
Cell temperature	302 ± 2 K
Ambient diffraction temperature	302 ± 2 K
Number of distinct elements	5
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	0.0387
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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