Crystallography Open Database

Information card for entry 7009448

Preview

Coordinates	7009448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H49 Ag B N4 P
Calculated formula	C28 H49 Ag B N4 P
SMILES	[Ag]1([n]2n([BH2]n3[n]1c(C)cc3C)c(cc2C)C)[P](C1CCCCC1)(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	12.712 ± 0.001 Å
b	18.682 ± 0.002 Å
c	25.41 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6034.5 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.045
Goodness-of-fit parameter for all reflections	1.178
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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.	7009448.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009448.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009448.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009448.cif