Crystallography Open Database

Information card for entry 4349506

Preview

Coordinates	4349506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H80 Ag B Cl4 F4 N2 P2
Calculated formula	C83 H80 Ag B Cl4 F4 N2 P2
SMILES	[Ag]1([P](c2ccc(F)cc2)(c2ccc(F)cc2)c2c([P]1(c1ccc(F)cc1)c1ccc(F)cc1)cccc2)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C.ClCCl.ClCCl.c1c(cccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Intense blue emission and a reversible hypsochromic shift of luminescence caused by grinding based on silver(i) complexes
Authors of publication	Kakizoe, Daichi; Nishikawa, Michihiro; Degawa, Taku; Tsubomura, Taro
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	11
Pages of publication	1381
a	13.9331 ± 0.0013 Å
b	14.8995 ± 0.0013 Å
c	19.1156 ± 0.0017 Å
α	88.373 ± 0.013°
β	85.477 ± 0.012°
γ	71.782 ± 0.01°
Cell volume	3757.6 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.2426
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
234836 (current)	2019-11-23	cif/ Adding structures of 4349506, 4349507 via cif-deposit CGI script.	4349506.cif