Crystallography Open Database

Information card for entry 1572312

Preview

Coordinates	1572312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H25 Cl3 O7 Sn Ti
Calculated formula	C14 H25 Cl3 O7 Sn Ti
SMILES	[Sn]12(Cl)(Cl)(Cl)[O]3[Ti]456(OCC(C3)(C[O]5CC(CC)(CO6)C[O]24)CC)[O]=C(O1)C
Title of publication	Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors
Authors of publication	Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei
Journal of publication	Nanoscale
Year of publication	2024
Journal volume	16
Journal issue	35
Pages of publication	16451 - 16457
a	9.8568 ± 0.0001 Å
b	16.8341 ± 0.0003 Å
c	12.5136 ± 0.0002 Å
α	90°
β	92.674 ± 0.001°
γ	90°
Cell volume	2074.13 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
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	0.0416
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295298 (current)	2024-10-06	cif/ Updating files of 1572311, 1572312, 1572313, 1572314, 1572315, 1572316, 1572317, 1572318 Original log message: Adding full bibliography for 1572311--1572318.cif.	1572312.cif
294075	2024-08-12	cif/ Adding structures of 1572311, 1572312, 1572313, 1572314, 1572315, 1572316, 1572317, 1572318 via cif-deposit CGI script.	1572312.cif