Crystallography Open Database

Information card for entry 1564298

Preview

Coordinates	1564298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H81 Ag B10 Cl2 O P4
Calculated formula	C78 H81 Ag B10 Cl2 O P4
SMILES	[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.[O]1(CCCCC1)[B]1234[BH]567[BH]81[BH]195[BH]5%10%11[BH]%122([BH]3815)[BH]147[BH]69%10[BH]%11%121
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	13.8282 ± 0.0004 Å
b	14.4239 ± 0.0004 Å
c	18.8399 ± 0.0005 Å
α	73.622 ± 0.001°
β	85.304 ± 0.001°
γ	88.507 ± 0.001°
Cell volume	3593.14 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0525
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0937
Weighted residual factors for all reflections included in the refinement	0.0983
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
267863 (current)	2021-07-31	cif/ Adding structures of 1564298 via cif-deposit CGI script.	1564298.cif