Crystallography Open Database

Information card for entry 7025902

Preview

Coordinates	7025902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 B Cl4 N8 Rh Zn
Calculated formula	C21 H26 B Cl4 N8 Rh Zn
SMILES	[Rh]1234([n]5n(ccc5)[B]5(n6[n]1ccc6)n1[n]([Zn](Cl)(Cl)[n]6n5ccc6)ccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.ClCCl
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	12.943 ± 0.0019 Å
b	19.687 ± 0.003 Å
c	12.1521 ± 0.0018 Å
α	90°
β	117.538 ± 0.011°
γ	90°
Cell volume	2745.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0734
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0706
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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.	7025902.cif
93350	2014-01-12	cif/ Adding structures of 7025896, 7025897, 7025898, 7025899, 7025900, 7025901, 7025902, 7025903 via cif-deposit CGI script.	7025902.cif