Crystallography Open Database

Information card for entry 4341974

4341973 << 4341974 >> 4341975

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Coordinates	4341974.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tropylium tin iodide
Chemical name	bis-cycloheptatrienyl lead hexaiodide
Formula	C14 H14 I6 Sn
Calculated formula	C14 H14 I6 Sn
SMILES	[Sn](I)(I)(I)([I-])(I)[I-].c1ccc[cH+]cc1.c1ccc[cH+]cc1
Title of publication	Hybrid Inorganic-Organic Materials with an Optoelectronically Active Aromatic Cation: (C7H7)2SnI6 and C7H7PbI3.
Authors of publication	Maughan, Annalise E.; Kurzman, Joshua A.; Neilson, James R.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	370 - 378
a	14.51196 ± 0.00011 Å
b	12.54724 ± 0.00012 Å
c	13.01629 ± 0.00011 Å
α	90°
β	94.3032 ± 0.0007°
γ	90°
Cell volume	2363.39 ± 0.04 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	A 1 n 1
Hall space group symbol	A -2yab
RFsqd	0.08962
Goodness-of-fit parameter for all reflections	2.2
Method of determination	powder diffraction
Diffraction radiation wavelength	0.413845 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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