Crystallography Open Database

Information card for entry 7227342

Preview

Coordinates	7227342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H98 N6 O2 Sn2
Calculated formula	C72 H98 N6 O2 Sn2
SMILES	[Sn]1([N]([Sn]([N]1=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C1C=CC=C1.O1CCCC1.O1CCCC1
Title of publication	Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes
Authors of publication	Ochiai, Tatsumi; Inoue, Shigeyoshi
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	2
Pages of publication	801
a	11.0955 ± 0.0003 Å
b	23.0198 ± 0.0005 Å
c	25.7805 ± 0.0006 Å
α	90°
β	95.263 ± 0.002°
γ	90°
Cell volume	6557 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0915
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.158
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189819 (current)	2017-01-04	cif/ Adding structures of 7227341, 7227342 via cif-deposit CGI script.	7227342.cif