Crystallography Open Database

Information card for entry 7061084

Preview

Coordinates	7061084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 O8 Sn
Calculated formula	C34 H32 O8 Sn
SMILES	[Sn]12(OC3=C(Oc4c(C3=[O]1)cccc4)c1occc1)(OC1=C(Oc3c(C1=[O]2)cccc3)c1occc1)(CCCC)CCCC
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	9.466 ± 0.0002 Å
b	16.2902 ± 0.0004 Å
c	19.8338 ± 0.0004 Å
α	90°
β	98.453 ± 0.002°
γ	90°
Cell volume	3025.21 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7061084.cif
270791	2021-11-21	cif/ Adding structures of 7061080, 7061081, 7061082, 7061083, 7061084 via cif-deposit CGI script.	7061084.cif