Crystallography Open Database

Information card for entry 7719040

7719039 << 7719040 >> 7719041

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Coordinates	7719040.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C336
Formula	C14 H10 I N3 O
Calculated formula	C14 H10 I N3 O
Title of publication	Organotin(IV) compounds catalyzed cyanide-free synthesis of α-iminonitriles.
Authors of publication	Kumar, Manish; Chakraborty, Sudipta; Nayek, Hari Pada
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	21
Pages of publication	8470 - 8482
a	4.1544 ± 0.0003 Å
b	10.7973 ± 0.0009 Å
c	30.5567 ± 0.0016 Å
α	90°
β	92.301 ± 0.005°
γ	90°
Cell volume	1369.56 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.0988
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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

Version history

Revision	Date	Message	Files
300367 (current)	2025-07-05	cif/ Adding structures of 7719038, 7719039, 7719040, 7719041, 7719042, 7719043 via cif-deposit CGI script.	7719040.cif