Crystallography Open Database

Information card for entry 4335201

Preview

Coordinates	4335201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.73 H19.19 Br1.27 N O P Pt0.5
Calculated formula	C18.734 H19.202 Br1.266 N O P Pt0.5
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	9.915 ± 0.002 Å
b	13.179 ± 0.003 Å
c	19.395 ± 0.004 Å
α	87.58 ± 0.03°
β	81.98 ± 0.03°
γ	76.46 ± 0.03°
Cell volume	2439.7 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0867
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4335201.cif
101109	2014-02-10	cif/ Adding structures of 4335201 via cif-deposit CGI script.	4335201.cif