Crystallography Open Database

Information card for entry 7025903

Preview

Coordinates	7025903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 B Cl2 N9 Pd Rh
Calculated formula	C22 H27 B Cl2 N9 Pd Rh
SMILES	[Pd]1(Cl)(Cl)[n]2n(ccc2)[B]2(n3[n]([Rh]456([n]7n2ccc7)[CH]2=[CH]4CC[CH]6=[CH]5CC2)ccc3)n2[n]1ccc2.N#CC
Title of publication	Homo- and heterodinuclear complexes of the tetrakis(pyrazolyl)borate ligand.
Authors of publication	Hallett, Andrew J.; Adams, Christopher J.; Anderson, Kirsty M.; Baber, R. Angharad; Connelly, Neil G.; Prime, Christopher J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	25
Pages of publication	5899 - 5907
a	9.5842 ± 0.0011 Å
b	11.8561 ± 0.0013 Å
c	12.6161 ± 0.0014 Å
α	73.114 ± 0.002°
β	86.102 ± 0.002°
γ	74.047 ± 0.002°
Cell volume	1318.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
179965 (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 7/02/59.	7025903.cif
93350	2014-01-12	cif/ Adding structures of 7025896, 7025897, 7025898, 7025899, 7025900, 7025901, 7025902, 7025903 via cif-deposit CGI script.	7025903.cif