Crystallography Open Database

Information card for entry 4329120

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Structure parameters

Formula	C72 H80 N2 O2 Pt
Calculated formula	C72 H80 N2 O2 Pt
SMILES	[Pt]1([N](=C2C(=[N]1c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1cccc3cccc2c13)c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(O)O
Title of publication	Monomeric Platinum(II) Hydroxides Supported by Sterically Dominant α-Diimine Ligands
Authors of publication	Tracy L. Lohr; Warren E. Piers; Masood Parvez
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4900 - 4902
a	21.5181 ± 0.0016 Å
b	20.5686 ± 0.0014 Å
c	33.051 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	14628.3 ± 1.7 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.1578
Residual factor for significantly intense reflections	0.1159
Weighted residual factors for significantly intense reflections	0.2331
Weighted residual factors for all reflections included in the refinement	0.2514
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4329120.cif
179394	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329120.cif
78160	2013-04-01	cif/ Adding structures of 4329120 via cif-deposit CGI script.	4329120.cif