Crystallography Open Database

Information card for entry 4502935

Preview

Coordinates	4502935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Cl2 N2 O3 Pt
Calculated formula	C39 H36 Cl2 N2 O3 Pt
SMILES	[Pt](Cl)(Cl)([n]1ccc(cc1)C(O)(c1ccccc1)c1ccccc1)[n]1ccc(cc1)C(O)(c1ccccc1)c1ccccc1.O=C(C)C
Title of publication	Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules
Authors of publication	Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	387
a	13.5935 ± 0.0019 Å
b	14.7377 ± 0.0015 Å
c	17.68 ± 0.003 Å
α	90°
β	98.757 ± 0.011°
γ	90°
Cell volume	3500.7 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179560 (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 4/50/29.	4502935.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502935.cif
37799	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502933, 4502934, 4502935, 4502936, 4502937, 4502938, 4502939, 4502940, 4502941, 4502942, 4502943 via cif-deposit CGI script.	4502935.cif