Crystallography Open Database

Information card for entry 4501720

Preview

Coordinates	4501720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 B2 Cl2 N2 O5 Pt
Calculated formula	C10 H14 B2 Cl2 N2 O5 Pt
SMILES	[Pt](Cl)(Cl)([n]1ccc(B(O)O)cc1)[n]1ccc(B(O)O)cc1.O
Title of publication	Pyridineboronic Acids as Useful Building Blocks in Combination with Perchloroplatinate(II) and -(IV) Salts: 1D, 2D, and 3D Hydrogen-Bonded Networks Containing X-H···Cl2Pt−(X = C, N+), B(OH)2···Cl2Pt−, and B(OH)2···(HO)2B Synthons
Authors of publication	Campos-Gaxiola, José J.; Vega-Paz, Araceli; Román-Bravo, Perla; Höpfl, Herbert; Sánchez-Vázquez, Mario
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3182
a	19.0164 ± 0.0018 Å
b	8.3989 ± 0.0008 Å
c	19.303 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	3083 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.314
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
179548 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/17.	4501720.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501720.cif
36055	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501720 via cif-deposit CGI script.	4501720.cif