Crystallography Open Database

Information card for entry 7061083

Preview

Coordinates	7061083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 O6 Sn
Calculated formula	C34 H28 O6 Sn
SMILES	[Sn]12(OC3=C(Oc4c(C3=[O]1)cccc4)c1ccc(cc1)C)(OC1=C(Oc3c(C1=[O]2)cccc3)c1ccc(cc1)C)(C)C
Title of publication	Water stable fluorescent organotin(iv) compounds: aggregation induced emission enhancement and recognition of lead ions in an aqueous system
Authors of publication	Kaur, Kulwinder; Singh, Raghubir; Kaur, Varinder; Capalash, Neena
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	1
Pages of publication	148 - 161
a	11.5018 ± 0.0003 Å
b	14.9532 ± 0.0003 Å
c	17.597 ± 0.0005 Å
α	90°
β	99.344 ± 0.002°
γ	90°
Cell volume	2986.33 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0621
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
272709 (current)	2022-02-04	cif/ Updating files of 7061080, 7061081, 7061082, 7061083, 7061084 Original log message: Adding full bibliography for 7061080--7061084.cif.	7061083.cif
270791	2021-11-21	cif/ Adding structures of 7061080, 7061081, 7061082, 7061083, 7061084 via cif-deposit CGI script.	7061083.cif