Crystallography Open Database

Information card for entry 4345287

Preview

Coordinates	4345287.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	T2@EV
Formula	C28 H36 Ge4 N4 O4 S10
Calculated formula	C28 H36 Ge4 N4 O4 S10
SMILES	[Ge]12(S[Ge]3(S[Ge](S[Ge](S3)(S2)[S-])(S1)[S-])[S-])[S-].c1(cc[n+](cc1)CC)c1cc[n+](cc1)CC.[n+]1(ccc(c2cc[n+](cc2)CC)cc1)CC.O.O.O.O
Title of publication	Substituent-Modulated Assembly Formation: An Approach to Enhancing the Photostability of Photoelectric-Sensitive Chalcogenide-Based Ion-Pair Hybrids.
Authors of publication	Lin, Jian; Fu, Zhixing; Zhang, Jiaxu; Zhu, Yujia; Hu, Dandan; Li, Dongsheng; Wu, Tao
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	6
Pages of publication	3119 - 3122
a	10.215 ± 0.0004 Å
b	12.7962 ± 0.0005 Å
c	17.6646 ± 0.0007 Å
α	79.336 ± 0.003°
β	73.292 ± 0.003°
γ	76.395 ± 0.003°
Cell volume	2132.29 ± 0.15 Å³
Cell temperature	223.01 ± 0.1 K
Ambient diffraction temperature	223.01 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1752
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
194823 (current)	2017-04-04	cif/ Updating files of 4345284, 4345285, 4345286, 4345287, 4345288, 4345289, 4345290 Original log message: Adding full bibliography for 4345284--4345290.cif.	4345287.cif
192518	2017-03-01	cif/ Adding structures of 4345284, 4345285, 4345286, 4345287, 4345288, 4345289, 4345290 via cif-deposit CGI script.	4345287.cif