Crystallography Open Database

Information card for entry 7708966

Preview

Coordinates	7708966.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3b'
Formula	C42 H52 N4 O2 Sn2
Calculated formula	C42 H52 N4 O2 Sn2
SMILES	[Sn]123[O]4[Sn]56[O]1c1c(C(C)(C)C)cc(C(C)(C)C)cc1[C@H]1N3[C@@H](c3[n]2cccc3)[C@H](N5[C@H]1c1[n]6cccc1)c1c4c(cc(c1)C(C)(C)C)C(C)(C)C.[Sn]123[O]4[Sn]56[O]1c1c(C(C)(C)C)cc(C(C)(C)C)cc1[C@@H]1N3[C@H](c3[n]2cccc3)[C@@H](N5[C@@H]1c1[n]6cccc1)c1c4c(cc(c1)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	15.6349 ± 0.0018 Å
b	15.8939 ± 0.0019 Å
c	18.278 ± 0.002 Å
α	90°
β	97.412 ± 0.004°
γ	90°
Cell volume	4504.1 ± 0.9 Å³
Cell temperature	100 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	0.0504
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	7708966.cif