Crystallography Open Database

Information card for entry 7026411

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Structure parameters

Formula	C30 H36 N2 O4 Pt
Calculated formula	C30 H36 N2 O4 Pt
SMILES	[Pt]12(Oc3c(O1)c(ccc3C(C)(C)C)C(C)(C)C)[N](=CC=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1
Title of publication	Rhenium(I) and platinum(II) complexes with diimine ligands bearing acidic phenol substituents: hydrogen-bonding, acid-base chemistry and optical properties.
Authors of publication	Liu, Wei; Heinze, Katja
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	40
Pages of publication	9554 - 9564
a	23.3474 ± 0.0005 Å
b	9.2838 ± 0.0002 Å
c	26.4446 ± 0.0005 Å
α	90°
β	107.144 ± 0.001°
γ	90°
Cell volume	5477.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0206
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0458
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026411.cif
179970	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 7/02/64.	7026411.cif
93491	2014-01-13	cif/ Adding structures of 7026409, 7026410, 7026411 via cif-deposit CGI script.	7026411.cif