Crystallography Open Database

Information card for entry 7009446

Preview

Coordinates	7009446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H38 Ag B N4 P2
Calculated formula	C42 H38 Ag B N4 P2
SMILES	[Ag]1([n]2n([BH2]n3[n]1ccc3)ccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[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	13.154 ± 0.002 Å
b	14.724 ± 0.002 Å
c	19.69 ± 0.003 Å
α	90°
β	94.93 ± 0.02°
γ	90°
Cell volume	3799.4 ± 1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for all reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections	1.553
Goodness-of-fit parameter for all reflections included in the refinement	1.761
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.	7009446.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009446.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009446.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009446.cif