Crystallography Open Database

Information card for entry 4073901

Preview

Coordinates	4073901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H47 Au2 Br O P2
Calculated formula	C56 H47 Au2 Br O P2
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	9.6714 ± 0.0005 Å
b	11.3463 ± 0.0006 Å
c	13.057 ± 0.0007 Å
α	114.603 ± 0.001°
β	98.3 ± 0.001°
γ	97.532 ± 0.001°
Cell volume	1259.64 ± 0.12 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	4073901.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073901.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073901.cif
46618	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073901 via cif-deposit CGI script.	4073901.cif