Crystallography Open Database

Information card for entry 4335200

Preview

Coordinates	4335200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H39 I N2 O3 P2 Pt
Calculated formula	C37 H39 I N2 O3 P2 Pt
SMILES	[Pt]1(I)([P](CCNC(=O)c2cccc(c2)C(=O)NCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.O
Title of publication	A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding
Authors of publication	Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7051 - 7060
a	10.2201 ± 0.0014 Å
b	11.5271 ± 0.0018 Å
c	15.413 ± 0.002 Å
α	76.047 ± 0.008°
β	79.126 ± 0.01°
γ	89.563 ± 0.009°
Cell volume	1729.2 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179455 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335200.cif
101108	2014-02-10	cif/ Adding structures of 4335200 via cif-deposit CGI script.	4335200.cif