Crystallography Open Database

Information card for entry 7057171

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Coordinates	7057171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 N5 O4 Si
Calculated formula	C27 H39 N5 O4 Si
Title of publication	Selective mercury ion recognition using a methyl red (MR) based silatrane sensor
Authors of publication	Singh, Gurjaspreet; Girdhar, Shally; Singh, Akshpreet; Saroa, Amandeep; Lakhi, Jaspreet Singh; Khullar, Sadhika; Mandal, Sanjay K.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	8
Pages of publication	6315
a	8.995 ± 0.004 Å
b	10.477 ± 0.005 Å
c	12.64 ± 0.006 Å
α	77.854 ± 0.006°
β	86.226 ± 0.006°
γ	86.282 ± 0.006°
Cell volume	1160.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1612
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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