Crystallography Open Database

Information card for entry 4329121

Preview

Coordinates	4329121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H96 Cl2 N2 O4 Pt
Calculated formula	C72 H96 Cl2 N2 O4 Pt
SMILES	[Pt]1([N](=C(C(=[N]1c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C)C)c1cc(cc(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)Cl.O(CC)C(=O)C.O(CC)C(=O)C
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	18.762 ± 0.002 Å
b	22.787 ± 0.002 Å
c	33.498 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14321 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0735
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179394 (current)	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.	4329121.cif
78161	2013-04-01	cif/ Adding structures of 4329121 via cif-deposit CGI script.	4329121.cif