Crystallography Open Database

Information card for entry 7126519

Preview

Coordinates	7126519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H54 Cl N9 Sn3
Calculated formula	C78 H54 Cl N9 Sn3
SMILES	c1cccc2c3c(c4ccccc4)c(c4ccccc4)c4c5cccc[n]5[Sn]([n]12)(n34)[Sn]12([n]3ccccc3c3c(c4ccccc4)c(c4ccccc4)c(c4cccc[n]24)n13)[Sn]12[n]3ccccc3c3c(c4ccccc4)c(c4ccccc4)c(c4cccc[n]24)n13.[Cl-]
Title of publication	Linear, mixed-valent homocatenated tri-tin complexes featuring Sn-Sn bonds.
Authors of publication	Chang, Wei-Chieh; Raj, Ankit; Hiramatsu, Hirotsugu; Li, Han-Jung; Ziegler, Micah S.; Lin, Yichen; Huang, Shengcih; Liu, Hsueh-Ju
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	50
Pages of publication	6786 - 6789
a	14.4606 ± 0.0016 Å
b	15.1842 ± 0.0016 Å
c	19.5168 ± 0.0018 Å
α	94.697 ± 0.002°
β	98.687 ± 0.003°
γ	92.921 ± 0.003°
Cell volume	4213.2 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0928
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.881
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
253798 (current)	2020-07-06	cif/ Updating files of 7126517, 7126518, 7126519, 7126520, 7126521, 7126522 Original log message: Adding full bibliography for 7126517--7126522.cif.	7126519.cif
252001	2020-05-13	cif/ Adding structures of 7126517, 7126518, 7126519, 7126520, 7126521, 7126522 via cif-deposit CGI script.	7126519.cif