Crystallography Open Database

Information card for entry 4073904

Preview

Coordinates	4073904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H68 Br2 P4 Pt2
Calculated formula	C40 H68 Br2 P4 Pt2
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc2ccc3ccc([Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC)c4ccc1c2c34
Title of publication	Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study
Authors of publication	Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6760
a	37.508 ± 0.002 Å
b	9.1892 ± 0.0006 Å
c	13.7163 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4727.6 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1017
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178628 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/39.	4073904.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073904.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073904.cif
46621	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073904 via cif-deposit CGI script.	4073904.cif