Crystallography Open Database

Information card for entry 7021437

Preview

Coordinates	7021437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H47 B9 Cl2 Cu P3
Calculated formula	C45 H47 B9 Cl2 Cu P3
SMILES	[Cu]1([P]([C]234[C]56([P]1(c1ccccc1)c1ccccc1)[BH]17[BH2]89[BH]%102[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
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	17.0593 ± 0.0014 Å
b	20.6703 ± 0.0016 Å
c	13.3203 ± 0.0011 Å
α	90°
β	102.592 ± 0.004°
γ	90°
Cell volume	4584 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0655
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7021437.cif
86941	2013-07-12	cif/ Adding structures of 7021437, 7021438, 7021439 via cif-deposit CGI script.	7021437.cif