Crystallography Open Database

Information card for entry 7708964

Preview

Coordinates	7708964.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2b'
Formula	C42 H54 N4 O2 Sn
Calculated formula	C42 H54 N4 O2 Sn
SMILES	[Sn]123Oc4c(cc(cc4C=[N]2[C@@H]([C@H]([NH]3Cc2ncccc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)c1ncccc1)C(C)(C)C)C(C)(C)C.[Sn]123Oc4c(cc(cc4C=[N]2[C@H]([C@@H]([NH]3Cc2ncccc2)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O1)c1ncccc1)C(C)(C)C)C(C)(C)C
Title of publication	Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms
Authors of publication	Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee
Journal of publication	Dalton Transactions
Year of publication	2021
a	15.197 ± 0.0012 Å
b	15.6665 ± 0.001 Å
c	19.2301 ± 0.0015 Å
α	90°
β	91.923 ± 0.003°
γ	90°
Cell volume	4575.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0273
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
270948 (current)	2021-12-01	cif/ Adding structures of 7708961, 7708962, 7708963, 7708964, 7708965, 7708966, 7708967, 7708968, 7708969 via cif-deposit CGI script.	7708964.cif