Crystallography Open Database

Information card for entry 4502934

Preview

Coordinates	4502934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36.5 H30.5 Cl3.5 N2 O2 Pt
Calculated formula	C36.5 H30.5 Cl3.5 N2 O2 Pt
SMILES	C(c1cc[n](cc1)[Pt]([n]1ccc(C(c2ccccc2)(c2ccccc2)O)cc1)(Cl)Cl)(c1ccccc1)(c1ccccc1)O.C(Cl)(Cl)Cl
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	13.526 ± 0.001 Å
b	15.172 ± 0.001 Å
c	17.955 ± 0.001 Å
α	79.538 ± 0.001°
β	71.919 ± 0.001°
γ	86.574 ± 0.001°
Cell volume	3444.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4502934.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502934.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.	4502934.cif