Crystallography Open Database

Information card for entry 4335198

Preview

Coordinates	4335198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 N2 O2 P2 Pt
Calculated formula	C38 H40 N2 O2 P2 Pt
SMILES	[Pt]1([P](CCNC(=O)c2cccc(C(=O)NCC[P]1(c1ccccc1)c1ccccc1)c2)(c1ccccc1)c1ccccc1)(C)C
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	10.0685 ± 0.0009 Å
b	17.8332 ± 0.0016 Å
c	18.5484 ± 0.0016 Å
α	90°
β	91.297 ± 0.002°
γ	90°
Cell volume	3329.6 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335198.cif
101105	2014-02-10	cif/ Adding structures of 4335198 via cif-deposit CGI script.	4335198.cif