Crystallography Open Database

Information card for entry 7711207

Preview

Coordinates	7711207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H72 Ag Cl2 F3 N4 O5 S
Calculated formula	C71 H72 Ag Cl2 F3 N4 O5 S
SMILES	[Ag]123[N]4(CC[N]1(CC[N]2(CC[N]3(CC4)Cc1ccccc1)Cc1ccc(OCCc2c3ccccc3cc3ccccc23)cc1)Cc1ccccc1)Cc1ccc(OCCc2c3ccccc3cc3ccccc23)cc1.S(=O)(=O)([O-])C(F)(F)F.ClCCCl
Title of publication	Argentivorous molecules with chromophores: dependence of fluorescence intensity on the distance between donor and acceptor
Authors of publication	Ju, Huiyeong; Hiraoka, Takao; Horita, Hiroki; Lee, Eunji; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi
Journal of publication	Dalton Transactions
Year of publication	2022
a	19.4648 ± 0.0013 Å
b	21.0751 ± 0.0014 Å
c	14.7014 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6030.8 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
277737 (current)	2022-09-09	cif/ Adding structures of 7711206, 7711207 via cif-deposit CGI script.	7711207.cif