Crystallography Open Database

Information card for entry 1564299

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Coordinates	1564299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H77 Ag B10 O2 P4
Calculated formula	C76 H77 Ag B10 O2 P4
SMILES	[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[O]1(CCOCC1)[B]1234[BH]56[BH]781[BH]195[BH]526[BH]269[BH]981[BH]137[BH]452[BH]691
Title of publication	Silver(I) complexes with substituted derivatives of the boron cluster anions as ligands
Authors of publication	Kubasov, A.S.; Matveev, E. Yu.; Klyukin, I.N.; Nichugovskiy, A.I.; Zhizhin, K. Yu; Kuznetsov, N.T.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119749
a	14.329 ± 0.002 Å
b	14.682 ± 0.002 Å
c	19.386 ± 0.003 Å
α	73.89 ± 0.01°
β	84.19 ± 0.01°
γ	89.93 ± 0.01°
Cell volume	3896.6 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.1057
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
267864 (current)	2021-07-31	cif/ Adding structures of 1564299 via cif-deposit CGI script.	1564299.cif