Crystallography Open Database

Information card for entry 7009447

Preview

Coordinates	7009447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 Ag B N4 P
Calculated formula	C24 H31 Ag B N4 P
SMILES	[Ag]1([n]2n([BH2]n3[n]1c(C)cc3C)c(cc2C)C)[P](CC)(c1ccccc1)c1ccccc1
Title of publication	Solution and solid-state structural properties of silver(I) dihydrobis(pyrazolyl)borate compounds with tertiary mono(phosphine) ligands †
Authors of publication	Lobbia, Giancarlo Gioia; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	13
Pages of publication	2123
a	8.939 ± 0.001 Å
b	13.815 ± 0.002 Å
c	20.376 ± 0.003 Å
α	93.451 ± 0.002°
β	91.594 ± 0.002°
γ	96.641 ± 0.002°
Cell volume	2493.3 ± 0.6 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 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	0.054
Residual factor for significantly intense reflections	0.044
Weighted residual factors for all reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections	1.267
Goodness-of-fit parameter for all reflections included in the refinement	1.335
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7009447.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009447.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009447.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009447.cif