Crystallography Open Database

Information card for entry 7013974

Preview

Coordinates	7013974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H52 B Cu N6 P2
Calculated formula	C51 H52 B Cu N6 P2
Title of publication	Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.
Authors of publication	Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	6
Pages of publication	951 - 958
a	21.075 ± 0.004 Å
b	21.075 ± 0.004 Å
c	21.075 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9361 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.168
Residual factor for significantly intense reflections	0.097
Weighted residual factors for all reflections	0.198
Weighted residual factors for all reflections included in the refinement	0.158
Goodness-of-fit parameter for all reflections	1.039
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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.	7013974.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013974.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013974.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013974.cif