Crystallography Open Database

Information card for entry 4349507

Preview

Coordinates	4349507.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H80 Ag B N2 P2
Calculated formula	C81 H80 Ag B N2 P2
SMILES	[Ag]1([P](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.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	17.4551 ± 0.0013 Å
b	17.4551 ± 0.0011 Å
c	44.281 ± 0.003 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	13491.6 ± 1.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4349507.cif