Crystallography Open Database

Information card for entry 1504433

Preview

Coordinates	1504433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 B N6 Ru
Calculated formula	C24 H27 B N6 Ru
SMILES	[B]12(c3ccc(cc3)C(C)(C)C)n3[n]([Ru]4567([n]8n1ccc8)([n]1n2ccc1)[cH]1[cH]4[cH]5[cH]6[cH]71)ccc3
Title of publication	Tris(1-pyrazolyl)borate (Scorpionate) Functionalized Polymers as Scaffolds for Metallopolymers
Authors of publication	Qin, Yang; Cui, Chengzhong; Jäkle, Frieder
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	9
Pages of publication	2972
a	9.391 ± 0.001 Å
b	10.4269 ± 0.001 Å
c	12.3173 ± 0.0012 Å
α	71.477 ± 0.004°
β	77.291 ± 0.006°
γ	82.09 ± 0.005°
Cell volume	1112.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0604
Weighted residual factors for all reflections included in the refinement	0.0612
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504433.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504433.cif
42047	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504433 via cif-deposit CGI script.	1504433.cif