Crystallography Open Database

Information card for entry 7021438

Preview

Coordinates	7021438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H45 Au B9 O P3
Calculated formula	C40 H45 Au B9 O P3
SMILES	[Au]1([P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%12%13[BH]%142([BH]236[BH]358[BH]79%11[BH]%12%1423)[C]4%10%13[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](OCC)(c1ccccc1)c1ccccc1
Title of publication	Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L].
Authors of publication	Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	23
Pages of publication	8298 - 8306
a	11.9805 ± 0.0017 Å
b	12.7651 ± 0.0018 Å
c	14.375 ± 0.002 Å
α	79.691 ± 0.003°
β	70.189 ± 0.003°
γ	76.404 ± 0.003°
Cell volume	1998.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.073
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021438.cif
86941	2013-07-12	cif/ Adding structures of 7021437, 7021438, 7021439 via cif-deposit CGI script.	7021438.cif